In Silico Study of Compounds Found in Temulawak (Curcuma xanthorrhiza) Against HER-2H Receptor in Breast Cancer

Abstract

Breast cancer is prevalent and frequently occurring cancers in women, with the HER-2H receptor as one of its therapeutic targets. Temulawak is a medicinal plant frequently used for anticancer treatment. This study aimed to determine the potential of temulawak as an anticancer agent against breast cancer. The results of the Lipinski’s Rule of Five method indicated that all compounds meet the requirements for oral administration. In the Pre-ADMET testing, some chemical compounds in temulawak showed poor predictive results. In the pharmacophore screening test, curzerenone was identified as the best model with an AUC value >0.5 and a pharmacophore fit score of 34.35. The molecular docking test revealed that the best compound with the lowest Gibbs free energy was curcumin, with a value of -9.56 kcal/mol. Therefore, it can be concluded that the best compound for use as an anticancer agent against the HER-2H receptor is curcumin.