Studi Penambatan Molekuler Senyawa Kaempferol dan Turunannya Terhadap Aktivitas Enzim Reverse Transcriptase dan Protease HIV-1

Abstract

HIV (Human Immunodeficiency Virus) infection treatment generally uses Anti Retroviral Therapy (ART) with seven classes of drugs, including HAART which combines NRTI and NNRTI or protease inhibitors. Even though ART is effective, there are still a lot of drug resistance, so it is necessary to find new anti-HIV drug. In this study, anti-HIV drug candidates was determined using the molecular docking study to evaluate kaempferol and its derivatives against the HIV-1 reverse transcriptase and protease enzymes. This research aims to reduce the number of compounds tested preclinically and clinically and produce safer and more effective anti-HIV drugs. The molecular docking method needs a target protein and a ligand. It starts with looking for target protein and compounds (36 kaempferol compounds and their derivatives). The next method is validation and molecular docking, which was carried out 100 replications using the trial version of MVD 6.0 program. Based on this research, it can be concluded that the compounds predicted have anti-HIV activity compared with Nevirapine (NNRTI) and Darunavir (protease inhibitor) as anti-HIV drugs according to WHO are compounds 18 (Kaempferol 3-OGalactoside 7-O-Rhamnoside), 20 (Kaempferol 3,7-dirhamnoside), 21 (Kaempferol 7-(6" -G