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

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...

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Veröffentlicht in:International journal of bioinformatics research and applications Jg. 11; H. 6; S. 540
Hauptverfasser: Singh, Anjali, Pal, Tapan Kumar
Format: Journal Article
Sprache:Englisch
Veröffentlicht: Switzerland 2015
Schlagworte:
viral replication
phytoinhibitors
amprenavir
HIV retroviruses
anti-HIV drugs
bioinformatics
drug targets
darunavir
gallic acid derivatives
HIV-1 protease inhibitors
docking analysis
ISSN:1744-5485
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Zusammenfassung: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.
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ISSN:1744-5485
DOI:10.1504/IJBRA.2015.073239