Docking analysis of gallic acid derivatives as HIV-1 protease inhibitors.

Docking analysis of gallic acid derivatives as HIV-1 protease inhibitors. Int J Bioinform Res Appl. 2015;11(6):540-6 Authors: Singh A, Pal TK Abstract HIV-1 Protease (HIV-1 PR) enzymes are essential for accurate assembly and maturation of infectious HIV retroviruses. The significant role of HIV-1 protease in viral replication has made it a potential drug target. In the recent past, phytochemical Gallic Acid (GA) derivatives have been screened for protease inhibitor activity. The present work aims to design and evaluate potential GA-based HIV-1 PR phytoinhibitors by docking approach. The ligands were prepared by ChemDraw and docking was performed in HEX software. In this present study, one of the GA analogues (GA4) emerged as a potent drug candidate for HIV-1 PR inhibition, and docking results showed it to be comparable with anti-HIV drugs, darunavir and amprenavir. The GA4 derivative provided a lead for designing more effective HIV-1 PR inhibitors. PMID: 26642362 [PubMed - in process]
Source: International Journal of Bioinformatics Research and Applications - Category: Bioinformatics Authors: Tags: Int J Bioinform Res Appl Source Type: research