Docking analysis of gallic acid derivatives as HIV-1 protease inhibitors. 2015

Anjali Singh, and Tapan Kumar Pal
1 Department of Biotechnology, Bengal Institute of Technology, Hadia 700150, West Bengal, India.

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.

UI MeSH Term Description Entries

Related Publications

Anjali Singh, and Tapan Kumar Pal
October 2019, Journal of natural products,
Anjali Singh, and Tapan Kumar Pal
February 2015, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy,
Anjali Singh, and Tapan Kumar Pal
October 2012, Journal of enzyme inhibition and medicinal chemistry,
Anjali Singh, and Tapan Kumar Pal
December 2020, Biomedical reports,
Anjali Singh, and Tapan Kumar Pal
August 2011, Molecular diversity,
Anjali Singh, and Tapan Kumar Pal
July 2010, Bioorganic & medicinal chemistry letters,
Anjali Singh, and Tapan Kumar Pal
January 2021, Parasitology research,
Anjali Singh, and Tapan Kumar Pal
January 2021, Bioorganic & medicinal chemistry letters,
Copied contents to your clipboard!