STUDI IN SILICO SENYAWA TURUNAN KURKUMINOID TERHADAP RESEPTOR ANDROGEN SEBAGAI KANDIDAT TERAPI KANKER PROSTAT

Abstract

C Cancer is the uncontrolled growth of abnormal cells in the body and can damage normal cells. The most frequently diagnosed malignancy due to cancer in men is prostate cancer. Curcuminoid derivative compounds (curcumin, demethoxycurcumin, and bisdemethoxycurcumin) are known to have the ability to inhibit androgen receptors. Androgen receptors play an important role in the growth of prostate cancer cells. The purpose of this study was to determine the best affinity of curcuminoid derivatives for androgen receptors through in silico. This research uses the molecular docking method with the initial stage of identifying physicochemical properties using the Swiss-ADME server, then predicting toxicity using Toxtree software version 3.1.0, geometry optimization using Avogadro software version 1.1.0, validation and molecular docking simulation using MGL Tools software version 1.5.6 with AutoDock Tools version 4.2, and in the final stage, namely the analysis of molecular docking results using the BIOVIA Discovery Studio Visualizer 2019 software. Based on the results of molecular docking simulations, bisdemethoxycurcumin is a compound that has the best affinity compared to other compounds, quantitatively from the docking results obtained free energy bonds (∆G) and smaller inhibition constants (Ki). Keywords: Curcuminoid Derivative Compounds, Androgen Receptors, Prostate Cancer, In Silico Study.