Indonesian Journal of Chemical Science
type: channel
description: Indonesian Journal of Chemical Science starting in 2024 migrates to better secure from various unwanted things, including journal hacking and so on. To submit, the author please visit the new website page of our journal at the link https://journal.unnes.ac.id/journals/ijcs MIGRATION OFFICIAL STATEMENT HERE Indonesian Journal of Chemical Science [P-ISSN 2252-6951 | E-ISSN 2502-6844] publishes basic research articles and conceptual of Chemistry, issued three (3) times a year, overall 10 articles per issued. To commemorate important events and agenda, may be issued a special edition that will include 10 articles in each issue.
publisher: Prodi Kimia
language: en
publication name: Indonesian Journal of Chemical Science
issn: 2252-6951
items: A Review of Bioethanol Derived from Lignocellulosic Agricultural Waste: Fermentation Pathways, Microbial Roles, Bioreactor Design, and Process Integration
items: Synthesis and Characterization of Copper Nanoparticles using Stachytarpheta jamaicensis Leaf Extract as A Bioreductant and Evaluation of its Antibacterial Activity Against Pseudomonas aeruginosa
items: Ultrasound Assisted Extraction of Cinnamon Bark Essential Oil with Physicochemical Characterization
items: Optimization of Ethanol-Water Solvent System for Total Flavonoid Extraction from Okara
items: Molecular Docking Study of Xanthone Targeting the Dihydropteroate Synthase (2VEG) Enzyme in Streptococcus pneumoniae
items: Pengaruh Waktu Reaksi Terhadap Efisiensi Penghilangan Logam Berat Pb, Cd, dan Ni Pada Proses Elektrokoagulasi
items: Agonist potential of estrogen-β receptors from brown algae (Sargassum muticum) as molecular therapy for breast cancer: in-silico approach
items: Comparative Analysis of Heavy Metal Contents Cd and Zn in Rice Snails (Pila ampullacea)
items: In Silico Study of Quercetin, Isoquercetin, and β-sitosterol Interaction with Acetylcholinesterase (AChE) Enzyme in Moringa Leaves (Moringa oleifera Lamk) as Alzheimer Disease Therapy
items: Compound Content and Bioactivity of Eucalyptus sp. Species
items: Exploring Natural Product Primary Sulfamates as Carbonic Anhydrase II Ligands: A Computational Approach
items: A Comprehensive Review Of Produced Water Processing Technology In The Oil And Gas Industry
items: In Silico Study of Potential Anti-Cholesterol of Garlic (Allium sativum L.) Against the HMG-CoA Reductase Enzyme
items: A Study molecular docking of Scientific Herbal Medicine Compounds Against Angiotensin-1 Converting Enzyme (ACE) as an Antihypertensive Agent
items: Difference Effect of Addition of Acetic Acid and Citric Acid on the Biodegradation Characteristics of Starch-Based Bioplastics
items: SYNTHESIS, CHARACTERIZATION, AND APPLICATION OF MGO FROM BITTERN: A RIVIEW 2018 - 2025
items: Optimization of the Performance of a Microplate Type UV-Vis Spectrophotometer as a Protein Content Testing Instrument Based on Green Analytical Chemistry (GAC)
items: Design and Development of IoT-Based Alcohol, CO₂, H₂S, and PM2.5 Detection System for Air Quality Monitoring in Chemical Laboratories
items: In Silico Study of Lemon (Citrus limon (L.) Burm. f.) Flavonoids as Potential HIV-1 Reverse Transcriptase Inhibitors
items: In Silico Study of Melinjo seeds (Gnetum gnemon L.) against Estrogen Receptor Alpha (ERα) in Breast Cancer
items: Characterization of Tobacco Stem Biochar for Controlled Release Fertilizer at Varying Pyrolysis Conditions
items: Preparation of Activated Carbon from Turi Wood as Rhodamine B Adsorbent
items: Facile Extraction of Spirulina for Ultra-Protection Sunscreen Activity
items: Molecular Docking Senyawa Fiscalin b, Isoleutherin, Eleutherol, Kaempferol, dan Luteolin pada Tumbuhan Physalis angulata Linn. sebagai Anti Kanker Lidah pada Protein MMP-9
items: Structure-Based Identification of Sanketan Heliotropium indicum as a RANK-RANKL Inhibitor: A Bioinformatics Approach for Osteoporosis Therapy
items: Characterization of CMC and Its Effect on Physical Stability and Shelf Life of Psidium guajava
items: Efektivitas Bioinsektisida Ekstrak Daun Kenikir (Cosmos caudatus Kunth) dalam Mengendalikan Populasi Semut dan Jangkrik di Lingkungan
items: Studi In Silico Aktivitas Antidiabetes Tanaman Bawang Merah (Allium cepa) terhadap Reseptor DPP4
items: ACTIVITY OF ANTIOXIDANT COMPOUNDS IN DIFFERENT VARIETIES OF MANGO LEAVES
items: Effect of the Chemical Treatment on the Oxalate Content during the Preparation of Starch Flour from Beneng Taro (Xanthosoma undipes K.Koch)

A Review of Bioethanol Derived from Lignocellulosic Agricultural Waste: Fermentation Pathways, Microbial Roles, Bioreactor Design, and Process Integration
type: item
description: Growing demand for sustainable energy has accelerated development of lignocellulosic bioethanol as a viable substitute for fossil fuels. This review presents a comprehensive evaluation of lignocellulosic bioethanol production from diverse agricultural residues as sustainable alternatives to fossil fuels, with emphasis on integrating feedstock characteristics, pretreatment technologies, enzymatic hydrolysis, and fermentation strategies within a single framework. Feedstocks examined include rice, wheat, corn, sugarcane, oil palm, kenaf, cotton, sesame, ramie, and soybean residue. Various pretreatment approaches, including dilute acid and alkaline treatments, steam explosion, deep eutectic solvents (DES), ionic liquids, microwave-assisted processes (MAP), nanoparticle-assisted hydrolysis (NAH), γ-irradiation, and biological delignification, are reviewed together with enzymatic saccharification and advanced fermentation systems. Fermentation configurations include separate hydrolysis and fermentation (SHF), simultaneous saccharification and fermentation (SSF), simultaneous saccharification and co-fermentation (SSCF), fed-batch, repeated-batch, and consolidated bioprocessing (CBP) using conventional and engineered microorganisms such as Saccharomyces cerevisiae, Scheffersomyces stipitis, Kluyveromyces marxianus, Zymomonas mobilis, recombinant Escherichia coli, and Clostridium. Reported ethanol titers exceed 90 g/L with yields approaching 0.57 g/g substrate under optimized conditions. This review further highlights current challenges and future directions involving inhibitor tolerance, pentose–hexose co-utilization, high-solid loading optimization, and scalable bioreactor integration for industrial implementation.
subject: Articles
  topic: section
subject: Bioethanol
  topic: keywords
subject: Fermentation Technology
  topic: keywords
subject: Process Integration
  topic: keywords
creator: Mizanurafi' Ghifarhadi Prasiefa
creator: Faiz Harits Pranaya
creator: Evi Nadilah Giandita
creator: Ridho Hafilisya Rahman
creator: Mohammad Nazarudin Ali
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 112
ending page: 146
doi: 10.15294/ijcs.v15i2.50010

Synthesis and Characterization of Copper Nanoparticles using Stachytarpheta jamaicensis Leaf Extract as A Bioreductant and Evaluation of its Antibacterial Activity Against Pseudomonas aeruginosa
type: item
description: Copper nanoparticles are metal particles with a size range of 1–100 nm that have potential as antibacterial agents. This study aimed to determine the characteristics and antibacterial activity of copper nanoparticles synthesized using Stachytarpheta jamaicensis leaf extract as a bioreductor. The synthesis was carried out using a green synthesis method through the reduction of CuSO₄·5H₂O solution with Stachytarpheta jamaicensis leaf extract. Optimization was performed using a UV-Vis spectrophotometer with variations in the ratio of CuSO₄ to extract from 1:1 to 1:4 and pH variations from 7 to 11. The nanoparticles were characterized using UV-Vis spectrophotometry, FTIR, and PSA, while the antibacterial activity was evaluated using the well diffusion method. The results showed that the optimum conditions were obtained at a ratio of 1:4 and pH 8. The synthesized copper nanoparticles had a particle size of 17.03 nm with a maximum UV-Vis absorption wavelength at 310 nm. The Cu–O functional group was identified at a wavenumber of 598.91 cm⁻¹. The copper nanoparticles exhibited very strong antibacterial activity against Pseudomonas aeruginosa with an inhibition zone diameter of 21.96 mm, indicating their potential as an antibacterial agent.
subject: Articles
  topic: section
subject: aktivitas anti bakteri
  topic: keywords
subject: bioreduktor
  topic: keywords
subject: biosintesis
  topic: keywords
subject: karakterisasi
  topic: keywords
subject: nanopartikel tembaga
  topic: keywords
creator: Neneng Lestari
creator: Suyatno Sutoyo
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 31
ending page: 43
doi: 10.15294/ijcs.v15i2.49783

Ultrasound Assisted Extraction of Cinnamon Bark Essential Oil with Physicochemical Characterization
type: item
description: Indonesia's biodiversity is extremely diverse, one example being its aromatic plants, which make it one of the world's largest producers of essential oils. Cinnamon is one such plant, almost all parts of which can be used, including the bark. Its main components consist of 60-85% cinnamaldehyde and 5-10% eugenol. The Ultrasound Assisted Extraction method is used in this extraction. The purpose of this study is to determine the effect of using the UAE extraction method on variations in temperature, time, and the ratio of raw materials to solvents, also to review the mass transfer phenomenon. The extraction process was carried out at 30°C, 40°C, 50°C, and 60°C; 5, 10, 20, 30, 40, 50, and 60 minutes; and ratio of 1:6, 1:8, and 1:10. The essential oil several tests, such as yield, refractive index, optical rotation, acid number, antioxidant IC50, SEM, FT-IR, and GC-MS. The results showed that there was an effect of temperature, time, and the ratio of material to solvent used. The use 40°C and 30 minutes produced the highest oil yield of 2.28% and cinnamaldehyde 87.94%.
subject: Articles
  topic: section
subject: Ultrasound Assisted Extraction
  topic: keywords
subject: Essential Oil
  topic: keywords
subject: Cinnamomum casia,
  topic: keywords
subject: Physicochemical
  topic: keywords
subject: Cinnamaldehyde
  topic: keywords
creator: Syakilla Adha Nandianta
creator: Ratnawati
creator: Ridho Prasetyo
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-05-26
publication date: 2026-05-26
starting page: 101
ending page: 114
doi: 10.15294/ijcs.v15i1.48995

Optimization of Ethanol-Water Solvent System for Total Flavonoid Extraction from Okara
type: item
description: Okara, an agro-industrial by product of soybean processing, is a potential source of flavonoids, particularly isoflavones. However, its large scale production often exceeds current utilization, resulting in its underexploitation. This study investigates the effect of ethanol-water solvent ratios on the total flavonoid content of dried okara powder and includes physicochemical characterization of the raw material. Extraction was carried out by maceration using ethanol-water mixtures (v/v) of 1:2 and 2:1. The total flavonoid content was 676.88 ± 15.66 µg/g dry weight for the 1:2 solvent system and 137.87 ± 0.53 µg/g dry weight for the 2:1 solvent system. These findings demonstrate that increasing the proportion of water in the solvent system enhances the extraction efficiency of flavonoids from okara.
subject: Articles
  topic: section
subject: okara
  topic: keywords
subject: isoflavon
  topic: keywords
subject: flavonoid ekstraksi
  topic: keywords
subject: optimasi pelarut
  topic: keywords
creator: Reny Salim
creator: Tuty Taslim
creator: Irene Puspa Dewi
creator: Verawaty
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 9
ending page: 22
doi: 10.15294/ijcs.v15i2.46170

Molecular Docking Study of Xanthone Targeting the Dihydropteroate Synthase (2VEG) Enzyme in Streptococcus pneumoniae
type: item
description: Streptococcus pneumoniae is a pathogenic bacterium causing serious infections, with rising antibiotic resistance highlighting the need for new agents. Dihydropteroate synthase (DHPS) is crucial in bacterial folate biosynthesis and a selective drug target. This study evaluated xanthone derivatives as DHPS inhibitors via molecular docking. Three derivatives namely 1,3,7-trihydroxy-9H-xanthen-9-one (Candidate 1), 1-hydroxy-9-oxo-7-sulfo-9H-xanthene-3-carboxylic acid (Candidate 2), and 9-oxo-1,7-disulfo-9H-xanthene-3-carboxylic acid (Candidate 3), were docked against DHPS (PDB ID: 2VEG) using UCSF Chimera, AutoDock Tools, and AutoDock Vina. Interaction analyses were performed with Discovery Studio and LigPlot+. All candidates bound stably in the DHPS active site; Candidate 2 exhibited the strongest binding (−7.7 kcal/mol) with key hydrogen bonds, while Candidate 3 showed extensive hydrophobic and electrostatic interactions. These results indicate xanthone derivatives, especially Candidate 2, as promising DHPS inhibitors for novel antibacterial development.
subject: Articles
  topic: section
subject: Molecular Docking
  topic: keywords
subject: Dihydropteroate synthase
  topic: keywords
subject: Streptococcus pneumoniae
  topic: keywords
creator: Dia Lestari
creator: Resti Aulia Lestari
creator: Alien Putri Hartiwi
creator: Emmy Yuanita
creator: Diah Miftahul Aini
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 147
ending page: 159
doi: 10.15294/ijcs.v15i2.39291

Pengaruh Waktu Reaksi Terhadap Efisiensi Penghilangan Logam Berat Pb, Cd, dan Ni Pada Proses Elektrokoagulasi
type: item
description: Pencemaran air merupakan salah satu permasalahan lingkungan utama yang disebabkan oleh aktivitas industri, terutama akibat keberadaan logam berat yang bersifat toksik, persisten, dan sulit terdegradasi. Logam berat seperti timbal (Pb), kadmium (Cd), dan nikel (Ni) termasuk pencemar prioritas karena berpotensi terakumulasi dalam lingkungan perairan dan membahayakan kesehatan. Penelitian ini bertujuan untuk menganalisis pengaruh waktu reaksi terhadap kinerja proses elektrokoagulasi dalam menurunkan konsentrasi logam berat pada air limbah artifisial sistem single komponen. Proses elektrokoagulasi dilakukan secara batch menggunakan elektroda aluminium dengan variasi waktu reaksi 15, 30, 45, 60, dan 75 menit pada kondisi operasi tetap. Parameter yang dianalisis meliputi konsentrasi akhir logam berat, efisiensi penghilangan, perubahan pH, dan konsumsi energi listrik. Konsentrasi logam berat dianalisis menggunakan metode Atomic Absorption Spectrophotometry (AAS). Hasil penelitian menunjukkan bahwa peningkatan waktu reaksi berpengaruh signifikan terhadap efisiensi penghilangan logam berat hingga mencapai kondisi optimum pada waktu reaksi 60 menit. Efisiensi penghilangan pada sistem single komponen mencapai lebih dari 90% untuk Pb serta mendekati 100% untuk Cd dan Ni. Hasil ini menunjukkan bahwa elektrokoagulasi berpotensi sebagai teknologi pengolahan air limbah yang efektif dan aplikatif.
subject: Articles
  topic: section
subject: elektrokoagulasi
  topic: keywords
subject: logam berat
  topic: keywords
subject: waktu reaksi
  topic: keywords
subject: air limbah artifisial
  topic: keywords
subject: single komponen
  topic: keywords
creator: nurmetania
creator: Muhammad Bakrie
creator: muhrinsyah fatimura
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 23
ending page: 30
doi: 10.15294/ijcs.v15i2.44902

Agonist potential of estrogen-β receptors from brown algae (Sargassum muticum) as molecular therapy for breast cancer: in-silico approach
type: item
description: Breast cancer is a malignant condition characterized by uncontrolled cell growth in breast tissue. Estrogen receptor-β have role as a tumor suppressor, so activating this receptor through specific agonists holds great promise for developing targeted and potential therapeutic agents for breast cancer treatment. This study aims to investigate the potential agonist activity of ten compounds of brown algae (Sargassum muticum) against estrogen-β receptors as candidates for breast cancer treatment through in-silico studies. The study was conducted using computational methods: Lipinski's Rule of Five (RO5) prediction, ADMET prediction, pharmacophore modeling, ligand and receptor preparation, method validation, molecular docking simulation and visualization. The results showed that of the 10 compounds evaluated from brown algae plants, all met the RO5 criteria, so they have potential as oral drug candidates. From the result, eckol compound has the smallest binding energy (-7.85) and inhibition constant (1.77 μM). Eckol interacts with several amino acid residues similarly to the way hydroxytamoxifen, the natural ligand, binds to estrogen-β. The study shows that Eckol has the potential to act as an estrogen receptor β agonist. However, further research, such as in vitro testing, is needed to confirm this agonistic activity.
subject: Articles
  topic: section
subject: Brown algae (Sargassum muticum)
  topic: keywords
subject: Breast cancer
  topic: keywords
subject: Molecular Docking
  topic: keywords
creator: Mila Karisma Fitriawati
creator: Fakih Haikal
creator: Fadia Fatiha
creator: Ervina Setiawati
creator: Rizky Prasiska Wulandari
creator: Halwa Aulia Nurdin
creator: Rina Fajri Nuwarda
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 76
ending page: 85
doi: 10.15294/ijcs.v15i2.41598

Comparative Analysis of Heavy Metal Contents Cd and Zn in Rice Snails (Pila ampullacea)
type: item
description: Keong sawah (Pila ampullacea) merupakan biota perairan sawah yang memiliki sifat filter feeder dan memiliki kemampuan untuk mengakumulasi polutan. Keong sawah yang terpapar oleh logam berat dapat menimbulkan efek toksik jika dikonsumsi oleh manusia. Logam berat Cd dan Zn merupakan logam berat yang dapat mencemari lahan pertanian yang disebabkan karena penggunaan pupuk anorganik, pembuangan limbah industri, dan juga limbah rumah tangga. Tujuan dari penelitian ini adalah untuk membuktikan adanya kadar Cd dan Zn pada keong sawah yang diambil dari 4 daerah di Kabupaten Pekalongan. Preparasi sampel dilakukan denga destruksi basah dan dianalisis dengan metode AAS (Atomic Absorption Spectrophotometry). Hasil pengujian menunjukkan bahwa semua sampel mengandung logam berat Cd dan Zn. Kandungan Cd pada keong sawah sebesar 3,04 mg/Kg; 5,97 mg/Kg; 7,56 mg/Kg; 6,83 mg/Kg, dan 2,35 mg/Kg. Kadar Cd yang terkandung dalam semua sampel keong sawah sudah melebihi baku mutu Cd yang ditentukan oleh BPOM No.9 Tahun 2022 sebesar 1,0 mg/Kg. Sedangkan kandungan Zn pada keong sawah 4,78 mg/Kg; 7,42 mg/Kg; 9,39 mg/kg; 8,95 mg/Kg dan 2,93 mg/Kg. Kadar Zn yang terkandung dalam semua sampel belum melebihi ambang batas yang ditentukan oleh BPOM No.03725/B/SK/VII/89 sebesar 100 mg/Kg.
subject: Articles
  topic: section
subject: AAS
  topic: keywords
subject: Rice Field Snail
  topic: keywords
subject: Cadmium
  topic: keywords
subject: Zinc
  topic: keywords
creator: Hilda HildaFitria Wulandari
creator: Hilda Fitria Wulandari
creator: Khusna Santika Rahmasari
creator: Achmad Vandian Nur
creator: Slamet
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-05-30
publication date: 2026-05-30
starting page: 58
ending page: 67
doi: 10.15294/ijcs.v15i1.12573

In Silico Study of Quercetin, Isoquercetin, and β-sitosterol Interaction with Acetylcholinesterase (AChE) Enzyme in Moringa Leaves (Moringa oleifera Lamk) as Alzheimer Disease Therapy
type: item
description: Acetylcholinesterase (AChE) is a cholinergic enzyme which hydrolyzes the neurotransmitter acetylcholine (ACh) into acetic acid and choline. ACh is clinically significant in the development of progressive Alzheimer’s disease that impairs memory and mental function. AChE inhibitor compounds are potential candidates for the treatment of Alzheimer’s. This research conducted an in silico study of compounds in Moringa leaves (Moringa oleifera Lamk) to obtain potential compounds in treating Alzheimer’s using the molecular docking, Lipinski rule prediction, including ADME and toxicity predictions. The research showed that isoquercetin, quercetin, and beta-sitosterol were the best drug candidates based on binding energy and inhibition constant (ki). The binding energy and inhibition constant (ki) values of isoquercetin are -9.21 kcal/mol and 0.1765 μM, respectively. The quercetin binding energy and inhibition constant (ki) values are -8.33 kcal/mol and 778 μM, respectively. Both isoquercetin and quercetin have hydrogen bonds at residue ARG 296. Beta-sitosterol bond energy and inhibition constant (ki) values are -12.87 kcal/mol and 3.7 10-10 μM respectively with Van der Waals bonds at the residue SER 203, GLY 121, PHE 295, and GLY 120.
subject: Articles
  topic: section
subject: Acetylcholinesterase Inhibitor
  topic: keywords
subject: Alzheimer
  topic: keywords
subject: Moringa leaves (Moringa oleifera Lamk)
  topic: keywords
subject: Molecular Docking
  topic: keywords
creator: Khoerunnisa Cahyani Lailani
creator: Muhammad Firdaus
creator: Eufrasia Pilianto
creator: Luthfiyyah Muthmainah
creator: Shela Salsabila
creator: Bagus Adhinagoro
creator: Muchtaridi
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-05-26
publication date: 2026-05-26
starting page: 91
ending page: 100
doi: 10.15294/ijcs.v15i1.36922

Compound Content and Bioactivity of Eucalyptus sp. Species
type: item
description: The genus Eucalyptus is widely recognized as a valuable natural resource, both economically and therapeutically, due to its broad distribution and chemical diversity. With increasing global concerns over antimicrobial resistance and the demand for natural alternatives, Eucalyptus essential oils (EOs) and extracts have gained significant scientific interest. This review explores the chemical composition and bioactivity of various Eucalyptus species based on data obtained through GC-MS, HPLC, and other analytical methods. The compounds found, predominantly terpenoids such as 1,8-cineole and α-pinene, vary greatly depending on species, environment, and extraction methods. Bioactivity studies indicate strong antimicrobial effects especially against Gram-positive bacteria and fungi), antioxidant capacity, anti-inflammatory and analgesic actions, as well as antidiabetic, cytotoxic, and insecticidal properties. These characteristics suggest that Eucalyptus has promising applications in pharmaceutical, cosmetic, food, and agricultural industries. However, further in vivo and clinical research is needed to support its safe and effective use.
subject: Articles
  topic: section
subject: eucalyptus
  topic: keywords
subject: essential oil
  topic: keywords
subject: chemical composition
  topic: keywords
subject: bioactivity
  topic: keywords
subject: antimicrobial
  topic: keywords
creator: Sara Wati lesnussa Siti siompo
creator: Andi Nurfitri Abubakar
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 1
ending page: 8
doi: 10.15294/ijcs.v15i2.31158

Exploring Natural Product Primary Sulfamates as Carbonic Anhydrase II Ligands: A Computational Approach
type: item
description: Carbonic anhydrase II (CA II) is a validated metalloenzyme target, classically inhibited by primary sulfonamides such as acetazolamide (AZM), but issues with selectivity and physicochemical properties drive the search for alternative zinc-binding scaffolds. Here, seven naturally occurring primary sulfamates and sulfonamides—(−)-altemicidin, psammaplin C, nucleocidin, 5′-O-sulfamoyladenosine, 5′-O-sulfamoyl-2-chloroadenosine, 5′-O-sulfamoyl-2-bromoadenosine, and 5′-O-sulfamoyltubercidin—were evaluated as potential CA II inhibitor scaffolds using an integrated in silico strategy, with AZM as reference. SwissADME analysis showed all derivatives to be within an acceptable small-molecule space, with higher molecular weights (345–425 g/mol) and polarity than AZM (208.22 g/mol), yet comparable TPSA values for psammaplin C, 5′-O-sulfamoyltubercidin, and 5′-O-sulfamoyladenosine (150–197 Å² vs. 151.66 Å²). ADMET predictions indicated uniformly low gastrointestinal absorption, lack of blood–brain barrier permeability, non-substrate behavior for P-glycoprotein, and no CYP450 inhibition. PASS analysis revealed markedly higher predicted anticancer activity for 5′-O-sulfamoyl-2-chloroadenosine, 5′-O-sulfamoyladenosine, and 5′-O-sulfamoyl-2-bromoadenosine (Pa up to 0.927; IAP > 0.89) compared with AZM. Molecular docking showed all derivatives binding CA II at least as well as AZM (−6.7 kcal/mol), with top scores for 5′-O-sulfamoyl-2-chloroadenosine (−8.0 kcal/mol), 5′-O-sulfamoyl-2-bromoadenosine (−7.8 kcal/mol), and 5′-O-sulfamoyltubercidin (−7.7 kcal/mol), supported by extensive hydrogen bonding and hydrophobic contacts. Collectively, these nucleoside-based primary sulfamates emerge as promising natural scaffolds for next-generation CA II-targeted therapeutics.
subject: Articles
  topic: section
subject: Carbonic anhydrase II
  topic: keywords
subject: Natural product primary
  topic: keywords
subject: sulfamates
  topic: keywords
subject: Molecular docking
  topic: keywords
subject: ADMET profiling
  topic: keywords
subject: PASS anticancer prediction
  topic: keywords
creator: aden dewi
creator: Rhamal Amir
creator: Aden Dhana Rizkita
creator: Candra Hermawan
creator: Vivi Amalia Dwi Pratiwi
creator: Taufik Muhammad Fakih
creator: Sintia Ayu Dewi
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-05-30
publication date: 2026-05-30
starting page: 80
ending page: 90
doi: 10.15294/ijcs.v15i1.38446

A Comprehensive Review Of Produced Water Processing Technology In The Oil And Gas Industry
type: item
description: Air terproduksi (produced water, PW) merupakan limbah utama dari kegiatan industri minyak dan gas bumi yang mengandung berbagai senyawa organik, anorganik, logam berat, minyak dan lemak, serta zat kimia berbahaya. Kompleksitas komposisi PW menjadikannya salah satu limbah cair paling menantang untuk diolah sebelum dibuang atau dimanfaatkan kembali. Oleh karena itu, diperlukan pemilihan dan pengembangan teknologi pengolahan yang tepat untuk menjamin kualitas lingkungan sekaligus mendukung prinsip keberlanjutan. Artikel ini menyajikan tinjauan komprehensif mengenai enam teknologi utama dalam pengolahan PW, yaitu adsorpsi, membran, elektrodialisis, membran bioreaktor, elektrokoagulasi, dan aktivasi elektrokimia. Adsorpsi menawarkan efisiensi tinggi dalam penghilangan kontaminan organik dengan biaya relatif rendah, namun terbatas oleh kapasitas material adsorben. Teknologi membran dan elektrodialisis mampu menghasilkan pemisahan ionik dan non-ionik secara selektif, meskipun tantangan fouling masih menjadi hambatan utama. Membran bioreaktor menggabungkan proses biologis dan pemisahan membran untuk degradasi bahan organik, dengan keunggulan efisiensi tinggi namun membutuhkan biaya operasional signifikan. Elektrokoagulasi telah terbukti efektif dalam menghilangkan minyak, logam, dan partikel tersuspensi dengan konsumsi bahan kimia minimal, sementara aktivasi elektrokimia menjanjikan disinfeksi dan peningkatan kualitas air melalui produksi agen oksidatif in situ. Dari kajian ini, jelas bahwa tidak ada satu teknologi tunggal yang mampu mengatasi seluruh kompleksitas PW. Oleh karena itu, pendekatan hibrid atau integratif yang mengombinasikan beberapa metode dipandang sebagai solusi yang lebih berkelanjutan untuk pengolahan PW secara efektif.
subject: Articles
  topic: section
subject: Air terproduksi
  topic: keywords
subject: Adsorbsi
  topic: keywords
subject: Teknologi Membran
  topic: keywords
subject: Membran bioreaktor
  topic: keywords
subject: ELEKTROKOAGULASI
  topic: keywords
creator: Rizza Fadillah Fitri
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 44
ending page: 57
doi: 10.15294/ijcs.v15i2.34901

In Silico Study of Potential Anti-Cholesterol of Garlic (Allium sativum L.) Against the HMG-CoA Reductase Enzyme
type: item
description: Dyslipidemia is a major risk factor for cardiovascular diseases, characterized by elevated total cholesterol and LDL levels. Statins, as first-line therapy, have certain limitations, highlighting the need for safer alternative candidates. Garlic (Allium sativum L.) contains various bioactive compounds with potential cholesterol-lowering activity. This study aimed to evaluate the potential of garlic active compounds as inhibitors of HMG-CoA reductase using an in silico approach. The methods included Lipinski’s Rule of Five analysis, ADME-Tox prediction, pharmacophore modeling, and molecular docking using AutoDock against the HMG-CoA reductase receptor (PDB ID: 3CCW), with simvastatin as a positive control. The results showed that all tested compounds met the drug-likeness criteria. ADME-Tox prediction indicated favorable absorption and distribution profiles for most compounds, although potential mutagenicity was observed. Pharmacophore modeling and molecular docking results revealed that tryptophan exhibited the best binding affinity with a binding energy of −6.39 kcal/mol and an inhibition constant of 20.68 μM, along with amino acid interactions similar to simvastatin. Therefore, tryptophan has potential as a cholesterol-lowering drug candidate, although further studies are required to address its safety profile.
subject: Articles
  topic: section
subject: Garlic
  topic: keywords
subject: anticholesterol
  topic: keywords
subject: HMG-CoA reductase
  topic: keywords
subject: molecular docking
  topic: keywords
creator: Vannisa Artasya
creator: Muhamad Ali Daffa
creator: Nisriinaa Ayu Dewanto
creator: Sandya Amelia Febriliani
creator: Bagus Adhinagoro
creator: Shela Salsabila
creator: Muchtaridi
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 86
ending page: 94
doi: 10.15294/ijcs.v15i2.40740

A Study molecular docking of Scientific Herbal Medicine Compounds Against Angiotensin-1 Converting Enzyme (ACE) as an Antihypertensive Agent
type: item
description: Jamu saintifik merupakan sumber daya alam terstandarisasi yang menawarkan potensi besar dalam penemuan agen antihipertensi baru serta didorong oleh kebutuhan akan alternatif yang lebih aman untuk penanganan penyakit hipertensi. Penelitian ini merupakan studi in silico yang dirancang untuk memprediksi kemampuan senyawa aktif jamu saintifik sebagai penghambat ACE. Metodologi yang diterapkan melibatkan preparasi protein target (PDB ID: 9QAU) dan optimasi ligan uji, dilanjutkan dengan penambatan molekul (molecular docking) untuk mengukur afinitas interaksi. Selain itu, analisis ADMET (Absorpsi, Distribusi, Metabolisme, Ekskresi, Toksisitas) dilakukan untuk menilai kelayakan farmakokinetik kandidat terpilih. Secara signifikan, hasil menunjukkan bahwa senyawa Isotheaflavin 3-O-gallate pada teh hijau unggul dengan docking score terbaik (−125 kcal/mol), serta memiliki profil ADMET yang menjanjikan untuk bioavailabilitas oral. Oleh karena itu, studi ini menyimpulkan bahwa Isotheaflavin 3-O-gallate adalah kandidat kuat inhibitor ACE dari Jamu Saintifik yang layak untuk divalidasi lebih lanjut melalui pengujian biologi.
subject: Articles
  topic: section
subject: Antihipertensi
  topic: keywords
subject: Molecular Docking
  topic: keywords
subject: Angiotensin-1 Converting Enzyme
  topic: keywords
subject: ACE-Inhibitor
  topic: keywords
subject: ADMET
  topic: keywords
creator: Faqine Ascory Sunargo
creator: Andri Prasetiyo
creator: Esti Mumpuni
creator: Esti Mulatsari
creator: Ardelia Ananda
creator: Hyunanda Ratu Fasya
creator: Alya Ramadhani Juanda
creator: Neysha Olivio Redjita
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 95
ending page: 103
doi: 10.15294/ijcs.v15i2.39784

Difference Effect of Addition of Acetic Acid and Citric Acid on the Biodegradation Characteristics of Starch-Based Bioplastics
type: item
description: Bioplastik merupakan salah satu alternatif potensial untuk menggantikan plastik konvensional, karena sifatnya yang mudah terdegradasi sehingga lebih ramah lingkungan. Bioplastik dapat disintesis dari pati dan gliserol dengan penambahan asam organik. Penelitian ini bertujuan untuk menganalisis perbedaan pengaruh penambahan asam asetat dan asam sitrat terhadap laju degradasi bioplastik yang berpotensi digunakan sebagai bahan kemasan ramah lingkungan. Bioplastik dibuat menggunakan dua formulasi, yaitu: (1) pati, gliserol, dan asam asetat (cuka), serta (2) pati, gliserol, dan asam sitrat (jeruk nipis), dengan rasio komposisi 18:1,5:1,5 mL. Produk bioplastik yang dihasilkan kemudian diuji sifat biodegradabilitasnya melalui pengamatan selama tiga belas hari. Hasil penelitian menunjukkan bahwa kedua jenis bioplastik belum mengalami degradasi sempurna hingga hari ketiga belas. Namun, pertumbuhan jamur lebih banyak teramati pada bioplastik berbasis asam sitrat. Hal ini diduga berkaitan dengan tekstur bioplastik asam sitrat yang lebih lembap dibandingkan dengan bioplastik yang menggunakan asam asetat. Temuan ini mengindikasikan bahwa jenis asam yang digunakan dalam pembuatan bioplastik dapat mempengaruhi tingkat kelembapan dan pertumbuhan mikroorganisme selama proses degradasi.
subject: Articles
  topic: section
subject: biodegradable
  topic: keywords
subject: pati
  topic: keywords
subject: bioplastik
  topic: keywords
creator: Alfira Julian
creator: Rafidah Almira Samosir
creator: Mutia Ardila
creator: Ekin Dwi Arif Kurniawan
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-11-20
publication date: 2025-11-20
starting page: 90
ending page: 96
doi: 10.15294/ijcs.v14i3.28455

SYNTHESIS, CHARACTERIZATION, AND APPLICATION OF MGO FROM BITTERN: A RIVIEW 2018 - 2025
type: item
description: Bittern, a liquid by-product of the salt industry, has emerged as a promising and sustainable alternative raw material for the synthesis of Magnesium Oxide (MgO). This literature review comprehensively examines recent developments within the 2018-2025 period concerning the synthesis, characterization, and diverse applications of MgO derived from bittern. Emphasis is placed on the potential of bittern as an economical magnesium source and its utilization aligning with circular economy principles. Predominant synthesis methods, such as chemical precipitation (using NaOH or Ca(OH)₂) and electrolysis, are discussed in depth, highlighting key process parameters and their influence on final product properties. Characterization results of bittern-derived MgO, including crystal structure and phase analysis using X-ray Diffraction (XRD), surface morphology analysis via Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM), and specific surface area determination by the Brunauer-Emmett-Teller (BET) method, are summarized from various studies. This review also explores the various applications of MgO synthesized from bittern, including as an adsorbent for pollutant removal (dyes and heavy metal ions), a catalyst and photocatalyst in chemical reactions, an antibacterial agent against pathogenic microorganisms, a refractory material for high-temperature applications, and in agriculture as a magnesium nutrient source. The positive environmental implications of utilizing waste bittern to produce this value-added material are also emphasized. The conclusion of this review affirms the significance of research in valorizing bittern into MgO and identifies prospects and challenges for future development, including process optimization, upscaling, and exploration of innovative applications.
subject: Articles
  topic: section
subject: Magnesium Oxide (MgO)
  topic: keywords
subject: Bittern
  topic: keywords
subject: Synthesis
  topic: keywords
subject: Characterization
  topic: keywords
subject: application
  topic: keywords
creator: Devilia Yuanita Nuni Widiarti
creator: Nuni Widiarti
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-08-03
publication date: 2026-08-03
starting page: 58
ending page: 75
doi: 10.15294/ijcs.v15i2.33323

Optimization of the Performance of a Microplate Type UV-Vis Spectrophotometer as a Protein Content Testing Instrument Based on Green Analytical Chemistry (GAC)
type: item
description: Advancements in laboratory technology have driven the adoption of more efficient and environmentally friendly analytical methods, in line with the principles of Green Analytical Chemistry (GAC). This study aims to optimize the performance of a microplate-based UV-Vis spectrophotometer for determining protein content in food samples using the Biuret method. The method is based on a colorimetric reaction between Biuret reagent and peptide bonds in proteins, forming a purple complex whose absorbance is proportional to protein concentration. Three dilution methods were evaluated: mL-microplate, µL-microplate, and mL-cuvette, based on parameters including maximum wavelength, linearity, and accuracy. All methods showed the same maximum absorbance wavelength (562 nm), indicating reaction stability. The mL-cuvette method achieved the highest linearity (R² = 0.998), while the mL-microplate method demonstrated the best accuracy (91.00%) and most consistent results in tempeh and yogurt samples. Meanwhile, the µL-microplate method offered acceptable accuracy (90.25%) with significantly reduced reagent volume, supporting the GAC approach. Therefore, the mL-microplate method is recommended as the primary technique for protein analysis using UV-Vis spectrophotometry, while the µL-microplate method provides an efficient and eco-friendly alternative for modern laboratory applications.
subject: Articles
  topic: section
subject: UV Vis Spectrophotometer
  topic: keywords
subject: Protein
  topic: keywords
subject: Green Analytical Chemistry
  topic: keywords
creator: Martin Sulistyani
creator: F. Widhi Mahatmanti
creator: Nuril Huda
creator: Ridho Prasetyo
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-11-20
publication date: 2025-11-20
starting page: 114
ending page: 123
doi: 10.15294/ijcs.v14i3.31948

Design and Development of IoT-Based Alcohol, CO₂, H₂S, and PM2.5 Detection System for Air Quality Monitoring in Chemical Laboratories
type: item
description: Air quality in a chemical laboratory is a crucial factor for occupational safety due to potential exposure to hazardous compounds such as alcohol vapor, CO₂, H₂S, and PM2.5 particles. This research aims to design, build, and test an Internet of Things (IoT)-based air quality detection system capable of monitoring these pollutants in real-time. The research method involved designing a system using MQ-3, MQ-135, MQ-136, and GP2Y1010AUF sensors integrated with a NodeMCU ESP32 microcontroller. Sensor calibration was performed using experimental methods to ensure the device's accuracy. The calibration results showed high validity with coefficients of determination (R²) for the MQ-3, MQ-135, and MQ-136 sensors of 0.9873, 0.9871, and 0.9127, respectively. The average measurement error of the system was below 5%. The system proved effective in providing early warnings and can be applied to enhance occupational safety and health in chemical laboratories through continuous and responsive air quality monitoring.
subject: Articles
  topic: section
subject: IoT
  topic: keywords
subject: Kualitas Udara
  topic: keywords
subject: Sensor Gas
  topic: keywords
subject: PM2.5
  topic: keywords
subject: Laboratorium Kimia
  topic: keywords
creator: Muhammad Quthbil Irsyad
creator: Sri Wahyuni
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-05-26
publication date: 2026-05-26
starting page: 1
ending page: 8
doi: 10.15294/ijcs.v15i1.31224

In Silico Study of Lemon (Citrus limon (L.) Burm. f.) Flavonoids as Potential HIV-1 Reverse Transcriptase Inhibitors
type: item
description: Infeksi Human Immunodeficiency Virus (HIV) masih menjadi masalah kesehatan global dengan enzim HIV-1 reverse transcriptase (HIV-1 RT) sebagai target utama terapi antiretroviral. Flavonoid pada jeruk lemon (Citrus limon L.) diketahui memiliki potensi farmakologis yang beragam sehingga berpeluang dikembangkan sebagai kandidat obat antiretroviral baru. Penelitian ini bertujuan mengevaluasi potensi senyawa flavonoid dari lemon sebagai inhibitor HIV-1 RT melalui pendekatan in silico yang meliputi penyaringan berdasarkan Lipinski’s Rule of Five, prediksi profil farmakokinetik dan toksisitas (ADMET), pemodelan farmakofor, serta simulasi penambatan molekuler pada reseptor HIV-1 RT (PDB ID: 3LAN). Hasil menunjukkan tujuh dari sepuluh senyawa memenuhi kriteria Lipinski dengan quercetin memiliki energi ikat terkuat sebesar -8,84 kkal/mol, diikuti eriodictyol (-7,98 kkal/mol), sementara vitexin memiliki profil toksisitas paling aman (non-mutagenik dan non-karsinogenik) serta skor kecocokan farmakofor tertinggi (45,18). Seluruh senyawa menunjukkan interaksi dengan residu asam amino penting pada sisi aktif enzim. Berdasarkan temuan ini, flavonoid lemon berpotensi untuk dikembangkan lebih lanjut sebagai inhibitor HIV-1 RT.
subject: Articles
  topic: section
subject: In silico
  topic: keywords
subject: Flavonoid
  topic: keywords
subject: HIV-1 RT
  topic: keywords
subject: Citrus limon
  topic: keywords
creator: Teuku 'Azzam Sabilil Haq
creator: Btari Kalisha Nyratri
creator: Ira Afridona
creator: Reneta Aisyah Maulina Junus
creator: Shela Salsabila
creator: Bagus Adhinagoro
creator: Muchtaridi
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-05-26
publication date: 2026-05-26
starting page: 8
ending page: 21
doi: 10.15294/ijcs.v15i1.30187

In Silico Study of Melinjo seeds (Gnetum gnemon L.) against Estrogen Receptor Alpha (ERα) in Breast Cancer
type: item
description: Breast cancer is the second most common type of cancer worldwide, with a mortality rate reaching 666,103 deaths in 2022. The most frequently observed subtype of breast cancer is characterized by the expression of estrogen receptor alpha (ERα). Tamoxifen, an ERα antagonist, has long served as a first-line therapy for ER-positive breast cancer. Despite its clinical efficacy, issues related to toxicity and the potential development of resistance during long-term use remain significant limitations to its application. Melinjo (Gnetum gnemon L.) has been reported to contain bioactive compounds, such as stilbenoids and flavonoids, which exhibit promising anticancer properties. This study aims to evaluate the potential of bioactive compounds from Gnetum gnemon L. as a candidate for breast cancer therapy through drug-likeness prediction, pharmacokinetic profiling, and molecular docking against ERα. The results of this study identified Gnetin C as a promising lead compound, with a binding energy of –10.47 kcal/mol and an inhibition constant of 0.021 µM. These findings highlight the potential of Gnetin C for further development as a candidate therapeutic agent against breast cancer.
subject: Articles
  topic: section
subject: Gnetum gnemon
  topic: keywords
subject: Breast cancer
  topic: keywords
subject: Estrogen alpha
  topic: keywords
subject: Molecular docking
  topic: keywords
creator: Ellisya Maharani Putri
creator: Fina Fatimah
creator: Syaira Bintang Alghifanie
creator: Rina Fajri Nuwarda
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-05-26
publication date: 2026-05-26
starting page: 22
ending page: 38
doi: 10.15294/ijcs.v15i1.29742

Characterization of Tobacco Stem Biochar for Controlled Release Fertilizer at Varying Pyrolysis Conditions
type: item
description: The development of Controlled Release Fertilizer (CRF) aims to reduce nutrient losses and environmental pollution caused by the rapid nutrient release from conventional fertilizers, which can result in 40%–90% NPK loss. This study focuses on producing tobacco stem biochar (TSB) through pyrolysis of tobacco stem powder to support CRF applications. The objective is to determine the optimal pyrolysis condition that yields TSB with properties suitable for land remediation and enhanced plant growth. Tobacco stem powder was subjected to pyrolysis under varying conditions, with TSB-3—produced at 600°C for 1 hour and an average heating rate of 30°C/min—emerging as the most efficient. This variant achieved a 28.99% mass yield, 73.09% fixed carbon, 77.47% porosity, 521.81 m²/g surface area, and 555.68 microns particle size. Additionally, it had a pH of 9.51, 24.18% nitrogen, 2.1% phosphorus, 1.8% potassium, 8.499 meq/100g CEC, 0.323 dS/m EC, and a salt index of 2.58. Enzymatic activities included 2.47 µmol/mL/min urease, 1.89 µmol/mL/min phosphatase, and 48.1 µmol/mL/min dehydrogenase. These results suggest TSB-3 is a promising candidate for nutrient carrier in CRF formulation, contributing to sustainable agriculture through improved nutrient use efficiency and soil health enhancement.
subject: Articles
  topic: section
subject: Biochar
  topic: keywords
subject: Controlled Release Fertilizer
  topic: keywords
subject: Pyrolysis
  topic: keywords
subject: Tobacco Stem
  topic: keywords
subject: Sustainable Agriculture
  topic: keywords
creator: Mizanurafi' Ghifarhadi Prasiefa
creator: Daniyal Firmansyah
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-11-20
publication date: 2025-11-20
starting page: 97
ending page: 113
doi: 10.15294/ijcs.v14i3.29335

Preparation of Activated Carbon from Turi Wood as Rhodamine B Adsorbent
type: item
description: Pencemaran air akibat limbah pewarna tekstil seperti rhodamin B menjadi perhatian utama karena kestabilannya dan dampaknya terhadap ekosistem. Penelitian ini bertujuan untuk mengkaji kemampuan adsorpsi karbon aktif berbasis kayu turi (Sesbania grandiflora) terhadap rhodamin B. Proses pembuatan karbon aktif meliputi karbonisasi pada suhu 300, 400, dan 500°C, dilanjutkan dengan aktivasi kimia menggunakan H₂SO₄ 0,1 M. Karakterisasi dilakukan melalui analisis FTIR, BET, kadar air, dan kadar abu. Adsorpsi rhodamin B diuji pada berbagai pH 3, 4, 5, 6, 7, dan 9 untuk menentukan kondisi optimal. Hasil menunjukkan bahwa karbon aktif pada suhu 500°C memiliki luas permukaan tertinggi (295,451 m²/g) dan kapasitas adsorpsi maksimal sebesar 18,594 mg/g dan efisiensi adsorpsi mencapai 99, 212% pada pH 7. Penelitian ini menunjukkan bahwa karbon aktif dari kayu turi berpotensi sebagai adsorben ramah lingkungan dalam pengolahan limbah tekstil
subject: Articles
  topic: section
subject: karbon aktif kayu turi adsorpsi rhodamin b
  topic: keywords
creator: Nelly Rahmawati
creator: Triastuti Sulistyaningsih
creator: Rika Wulandari
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-05-26
publication date: 2026-05-26
starting page: 39
ending page: 50
doi: 10.15294/ijcs.v15i1.28870

Facile Extraction of Spirulina for Ultra-Protection Sunscreen Activity
type: item
description: Spirulina is a cyanobacterium rich in bioactive compounds, including flavonoids, phenolics, and phycocyanins, which contribute to its antioxidant and photoprotective properties. This study aimed to evaluate the bioactive composition, antioxidant capacity, and sun protection factor (SPF) of ethanolic spirulina extracts. Extraction was performed using maceration with 70% ethanol, followed by filtration and evaporation. The antioxidant activity was determined using the DPPH assay, while SPF values were assessed through spectrophotometric analysis at 290–320 nm. The extraction yield was 35.345±0.050%, with a residual solvent content of 0.586±0.059%, indicating efficient extraction. Phytochemical screening confirmed the presence of flavonoids, saponins, phenols, and steroids. The IC50 value of 784.914±0.299 ppm classified the extract as having weak antioxidant activity. SPF analysis showed that at 5000 ppm, the extract achieved an SPF value of 20.378±0.084, placing it in the ultra-protection category. These findings suggest that spirulina extract has potential applications in cosmetic formulations as a natural UV-protective agent. Further research is needed to assess its stability in formulations and its effectiveness in in vivo applications.
subject: Articles
  topic: section
subject: Antioxidant activity
  topic: keywords
subject: Arthospira platensis
  topic: keywords
subject: Ethanol extraction
  topic: keywords
subject: Sun Protection Factor (SPF)
  topic: keywords
subject: UV-Vis spectrophotometer
  topic: keywords
creator: Diva Sabila
creator: Selly Harnesa Putri
creator: Anis Yohana Chaerunnisaa
creator: Desy Nurliasari
rights: Copyright (c) 2026 Indonesian Journal of Chemical Science
date: 2026-05-26
publication date: 2026-05-26
starting page: 51
ending page: 57
doi: 10.15294/ijcs.v15i1.28771

Molecular Docking Senyawa Fiscalin b, Isoleutherin, Eleutherol, Kaempferol, dan Luteolin pada Tumbuhan Physalis angulata Linn. sebagai Anti Kanker Lidah pada Protein MMP-9
type: item
description: Kanker lidah adalah jenis kanker rongga mulut yang agresif dengan angka kejadian dan kematian tinggi, terutama karena diagnosis terlambat dan terbatasnya pilihan terapi efektif. Protein Matrix Metalloproteinase-9 (MMP-9) berperan penting dalam invasi dan metastasis sel kanker lidah dengan kemampuan mendegradasi matriks ekstraseluler, sehingga memfasilitasi penyebaran kanker. Tanaman herbal ciplukan (Physalis angulata Linn.) mengandung senyawa aktif seperti Lutheolin, Isoleutherin, yang berpotensi sebagai agen antikanker. Penelitian ini mengevaluasi afinitas senyawa Isoleutherin, Luteolin, Fiscalin b, Eleutherol, Kaempferol terhadap protein MMP-9 menggunakan metode molecular docking. Hasil menunjukkan Isoeleutherin memiliki energi ikatan bebas terendah (-8,49 kkal/mol), lebih rendah dibandingkan senyawa lain seperti Fiscalin b (-7,74 kkal/mol), Eleutherol (-7,73 kkal/mol), Kaempferol (-7,47 kkal/mol), dan Luteolin (-8,07 kkal/mol). Isoeleutherin memiliki potensi sebagai antikanker lidah walaupun kemampuannya tidak lebih baik dari ligan alaminya.
subject: Articles
  topic: section
subject: kanker lidah
  topic: keywords
subject: mmp-9
  topic: keywords
subject: physalis angulata linn
  topic: keywords
subject: molecular docking
  topic: keywords
creator: Nadia Nanda Riani
creator: Anjar Hermadi Saputro
creator: Winni Nur Auli
creator: Nadya Nur Azizah
creator: Nanda Lenny Yuniaty br Simorangkir
creator: Stefanny Herlin Natalya Hutabarat
creator: Dela Natalia
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-11-20
publication date: 2025-11-20
starting page: 82
ending page: 89
doi: 10.15294/ijcs.v14i3.25817

Structure-Based Identification of Sanketan Heliotropium indicum as a RANK-RANKL Inhibitor: A Bioinformatics Approach for Osteoporosis Therapy
type: item
description: Heliotropium indicum, a traditional medicinal plant, contains a variety of bioactive compounds with potential therapeutic effects. This study employed a structure-based virtual screening approach to evaluate the inhibitory potential of selected compounds from H. indicum against RANKL (Receptor Activator of Nuclear Factor κB Ligand), a key regulator in osteoclastogenesis and osteoporosis. Molecular docking simulations were performed using AutoDockTools integrated with PyRx, targeting the RANKL crystal structure (PDB ID: 3QBQ). The binding free energy (ΔG) values were used to assess ligand affinity, with Indicine (–5.6 kcal/mol), Heliotrine (–6.0 kcal/mol), and 24-Methylenecholesterol (–6.6 kcal/mol) demonstrating the strongest binding affinities. Interaction analyses revealed stable hydrogen bonding and hydrophobic contacts with key residues such as SER296, ARG222, and GLY96. Further ADME-Tox profiling and Lipinski’s Rule of Five filtration indicated that most compounds possess favorable pharmacokinetic properties, including high gastrointestinal absorption, non-substrate behavior toward P-glycoprotein, minimal CYP450 inhibition, and low toxicity risks. Notably, Indicine and Heliotrine exhibited superior drug-likeness and safety profiles, while 24-Methylenecholesterol also emerged as a promising lead despite slightly lower binding affinity. These findings suggest that specific bioactive constituents of H. indicum could serve as potential RANKL inhibitors for osteoporosis therapy. The combined computational evaluations provide a strong foundation for future in vitro and in vivo validation, supporting the development of novel phytopharmaceuticals targeting bone resorption pathways
subject: Articles
  topic: section
subject: Heliotropium indicum
  topic: keywords
subject: RANKL inhibition
  topic: keywords
subject: Osteoporosis ADMET prediction
  topic: keywords
creator: aden rizkita
creator: Sintia Ayu Dewi
creator: Taufik Muhammad Fakih
creator: Candra Hermawan
creator: Vivi Amalia Dwi Pratiwi
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-11-20
publication date: 2025-11-20
starting page: 70
ending page: 81
doi: 10.15294/ijcs.v14i3.25933

Characterization of CMC and Its Effect on Physical Stability and Shelf Life of Psidium guajava
type: item
description: Psidium guajava has a high content of vitamin C as an antioxidant that is easily damaged. One way to make it stable with stabilizers in the form of hydrocolloids, which are commonly used is carboxymethyl cellulose (Na CMC). The study aims to determine the effect of CMC addition on guava juice drinks with variations in temperature and storage duration and determine the shelf life. Methods include characterization of CMC (water content, organoleptic and viscosity, pH, NaCl content and purity). Guava juice beverage formulation was made by varying CMC concentration (organoleptic, viscosity, pH and vitamin C content). The best result (0.5% w/b) was continued with temperature treatment of 26°C and 16°C, and observation for 25 days. The results showed that CMC had a purity of 98.54% with NaCl of 1.46% and other results showed that it met the SNI/FAO requirements. The test of CMC addition proved to be able to stabilize the juice based on the viscosity of each treatment, but reduced the level of acidity at 16°C. The 26°C treatment changed color and odor on day 10 while at 16°C it lasted until day 20. Vitamin C content showed that on days 10-15 the treatment stored at 26°C decreased to 0.1 mg/g while at 16°C it was stable until day 25. Determination of shelf life using a mathematical model of degradation kinetics.
subject: Articles
  topic: section
subject: CMC
  topic: keywords
subject: degradation kinetics
  topic: keywords
subject: fruit juice
  topic: keywords
subject: shelf life
  topic: keywords
subject: vitamin C
  topic: keywords
creator: Arya Avif Alviansyah
creator: Annisa Zahra Ramadhan
creator: Nisrina Azhaar Athaya
creator: Suci Nuraiza
creator: Silvi Permata Defisna
creator: Ibnu Hibban Tasman
creator: Mohammad Khotib
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-11-20
publication date: 2025-11-20
starting page: 60
ending page: 69
doi: 10.15294/ijcs.v14i3.25250

Efektivitas Bioinsektisida Ekstrak Daun Kenikir (Cosmos caudatus Kunth) dalam Mengendalikan Populasi Semut dan Jangkrik di Lingkungan
type: item
description: Kenikir (Cosmos caudatus Kunth) merupakan tanaman yang diketahui mengandung berbagai senyawa bioaktif, seperti flavonoid, saponin, dan terpenoid, yang berpotensi sebagai insektisida alami. Penggunaan insektisida sintetis yang berlebihan dapat menimbulkan dampak negatif terhadap lingkungan dan kesehatan manusia, sehingga diperlukan alternatif berbasis bahan alami. Penelitian ini bertujuan untuk menguji efektivitas ekstrak daun kenikir sebagai biopestisida terhadap semut dan jangkrik serta menentukan konsentrasi optimal yang memberikan efek toksisitas tertinggi. Ekstraksi senyawa bioaktif dilakukan dengan metode maserasi menggunakan pelarut etanol 96%. Uji efektivitas dilakukan dengan berbagai konsentrasi ekstrak (25%, 50% dan 75%) yang diaplikasikan pada serangga uji. Hasil penelitian menunjukkan bahwa ekstrak daun kenikir memiliki aktivitas insektisida yang signifikan, dengan konsentrasi 75% menunjukkan tingkat mortalitas tertinggi. Senyawa aktif dalam ekstrak diduga bekerja dengan mengganggu sistem saraf dan metabolisme serangga. Penelitian ini mengindikasikan bahwa ekstrak daun kenikir berpotensi sebagai biopestisida alami yang ramah lingkungan dan dapat menjadi alternatif yang efektif terhadap insektisida sintetis dalam pengendalian hama.
subject: Articles
  topic: section
subject: Kenikir
  topic: keywords
subject: Hama
  topic: keywords
subject: Jangkrik
  topic: keywords
subject: Semut
  topic: keywords
subject: Bioinsektisida
  topic: keywords
creator: Devy Lestari
creator: Faticha Amalia Marsyanda
creator: Martha Rully Meiva Ayu
creator: Timbul Wibowo
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-11-20
publication date: 2025-11-20
starting page: 50
ending page: 59
doi: 10.15294/ijcs.v14i3.23619

Studi In Silico Aktivitas Antidiabetes Tanaman Bawang Merah (Allium cepa) terhadap Reseptor DPP4
type: item
description: Pendahuluan: Diabetes mellitus tipe 2 merupakan suatu gangguan pada sel beta pankreas dalam mensekresikan insulin yang ditandai dengan hiperglikemia atau meningkatnya kadar gula darah melebihi kondisi normal. DPP-4 telah diidentifikasi sebagai target penting dalam pengobatan diabetes tipe 2 karena perannya dalam regulasi glukosa darah dan produksi insulin. Penelitian ini bertujuan untuk membuktikan potensi senyawa yang terkandung di dalam bawang merah (Allium cepa) yang berperan sebagai inhibitor DPP-4 secara in silico melalui penambatan molekul. Metode: Penelitian dilakukan dengan menggunakan perangkat lunak Chemdraw, Chem 3D, AutoDockTools 1.5.6, BIOVIA Discovery Studio 2021, dan Ligandscout. Hasil: Terdapat 20 senyawa bawang merah yang diuji melalui pengujian lipinski rule of five, prediksi ADMETOKS, hingga penambatan molekuler. 2,4-Dimethylthiophene adalah senyawa yang paling optimal aktivitasnya dengan DPP4. Senyawa ini memiliki konstanta inhibisi (KI) dan binding energy (ΔG) terkecil, serta ditemukan 3 ikatan yang serupa dengan senyawa alami, yaitu TYR B: 666, TYR B: 662, dan SER B: 630.
subject: Articles
  topic: section
subject: Bawang merah
  topic: keywords
subject: DPP4
  topic: keywords
subject: Penambatan Molekuler
  topic: keywords
creator: N. Anna Sakinah Liana Rahmawati
creator: Mutie Zahrani
creator: Diflaa Kayla Nisrina
creator: Anzalna Rachman
creator: ⁠Fashli Kamilain Supyansuri
creator: Alya. P. A. Pribadi
creator: Natasya Parameswari
creator: Diah L. Aulifa
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-08-21
publication date: 2025-08-21
doi: 10.15294/ijcs.v14i2.12168

ACTIVITY OF ANTIOXIDANT COMPOUNDS IN DIFFERENT VARIETIES OF MANGO LEAVES
type: item
description: Exposure to free radicals in the body in amounts that exceed normal limits can trigger the emergence of various diseases. The formation of free radicals can be inhibited or stopped using antioxidant compounds. Mango leaves are one of the natural materials known to contain secondary metabolite compounds such as flavonoids and phenolics that can be used as natural antioxidants. The writing of this article aims to determine the activity of the chemical compound in various kinds of mango leaves as a natural antioxidant to ward off free radicals based on literature review of the original articles conducted through a search engine with keywords antioxidant, mango leaves. The results of antioxidant activity of mango leaves as to free radical scavengers were obtained from 11 varieties, namely arumanis, bacang, gadung, gedong, kasturi, manalagi, podang, binjai, tandui, irwin, and machang pulasan. Mango leaves contain high secondary metabolite compounds that have potential as antioxidants with highly variable activity. The strongest results were shown in the mango gadung variety with an IC50 value of 3,263 ppm (very strong) using maceration method extraction with DPPH test. Factors that can affect the amount of bioactive compounds and antioxidant activity are the type of mango variety and growing location. Mango leaf as an antioxidant has the potential to be utilized for the food, cosmetic, and pharmaceutical industries.
subject: Articles
  topic: section
subject: Bioinsektisida
  topic: keywords
subject: Kenikir
  topic: keywords
subject: Hama
  topic: keywords
subject: Jangkrik,
  topic: keywords
subject: Semut
  topic: keywords
creator: Hartatik Sri Lestari
creator: Nanik Wijayati
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-11-20
publication date: 2025-11-20
starting page: 34
ending page: 49
doi: 10.15294/ijcs.v14i3.22734

Effect of the Chemical Treatment on the Oxalate Content during the Preparation of Starch Flour from Beneng Taro (Xanthosoma undipes K.Koch)
type: item
description: Indonesia memiliki beragam jenis umbi-umbian salah satunya yaitu talas beneng. Hal yang menjadi kendala dalam pemanfaatan talas ini yaitu terdapatnya senyawa oksalat. Pada penelitian ini, larutan kimia seperti NaCl, NaHCO3, dan CH3COOH dengan berbagai konsentrasi digunakan untuk mengetahui pengaruh perlakuan kimia terhadap kadar oksalat pada proses pembuatan tepung pati talas beneng (Xanthosoma undipes K.Koch). Umbi talas direndam dalam larutan tersebut dan di dalam aquadest sebagai kontrol lalu dijadikan tepung pati. Filtrat hasil perendamannya dianalisis dengan metode titrasi permanganometri untuk mengetahui kadar oksalat terlarut. Tepung patinya dianalisis kadar oksalat larut dan total menggunakan metode HPLC. Filtrat hasil perendaman umbi talas di dalam CH3COOH 20% memiliki kadar oksalat tertinggi sebesar 3630,32 mg/100g umbi segar. Tepung patinya yang memiliki kadar oksalat larut paling tinggi yaitu umbi yang sebelumnya direndam dalam NaCl 20% dengan kadar sebesar 0,0421 mg/100g tepung pati. Sampel tepung pati tersebut dianalisis lebih lanjut untuk mengetahui kadar oksalat total, kadar oksalat totalnya sebesar 0,5320 mg/100g tepung pati. Berdasarkan nilai kadar oksalat larut dan total dapat dihitung kadar oksalat tidak larutnya, umbi yang sebelumnya direndam dalam NaCl 20% memiliki kadar oksalat tidak larut sebesar 0,4899 mg/100g tepung pati
subject: Articles
  topic: section
subject: Talas beneng
  topic: keywords
subject: Kadar oksalat
  topic: keywords
subject: Pati talas
  topic: keywords
creator: Hanifah Az-Zahra
creator: Mohammad Alauhdin
rights: Copyright (c) 2025 Indonesian Journal of Chemical Science
date: 2025-11-20
publication date: 2025-11-20
starting page: 1
ending page: 7
doi: 10.15294/ijcs.v14i3.20001