3D-PHARMACOPHORE MODELING AND MOLECULAR DOCKING TO STUDY THE POTENTIAL ANTI-CANCER AGENT FROM Ficus septica Burm. L

In vitro testing showed that awar (Ficus septica Burm. L ) leaf had an anticancer activity. Ethanol extract from awar-awar leaves could selectively inhibit cancer cell growth with IC50 values, there were MCF7 breast cells (48 µg/ml), HeLa cervical (122.4 µg/mL), and WiDR (75.9 µg/mL). However, the active compounds play a role in inhibiting three are not yet found. Therefore, this research carried out to find compound using silico. 3D-pharmacophore modeling Molecular docking developed for finding potential be acted as anti-cancer agent. Screening pharmacophore was performed LigandScout® 4.4 software searching matching features against chemical structure databases. Docking Autodock Tools® visualized Discovery Studio Visualizer® see ligand interaction binding site at receptor continue ADMET properties evaluating Pharmacodynamic activities of Hit compounds. Among 17 types tested, 11 activity genistin found promising inhibitory characteristics compared other leaves. This study suggests these used lead agents.