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Bioinformation. 2012;8(24):1206-10. doi: 10.6026/97320630081206. Epub 2012 Dec 8.

Virtual screening of Indonesian herbal database as HIV-1 reverse transcriptase inhibitor.

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  • 1Faculty of Pharmacy, University of Indonesia, Depok 16424, Indonesia.

Abstract

HIV-1 (Human immunodeficiency virus type 1) is a member of retrovirus family that could infect human and causing AIDS disease. AIDS epidemic is one of most destructive diseases in modern era. There were more than 33 million people infected by HIV until 2010. Various studies have been widely employed to design drugs that target the essential enzymes of HIV-1 that is, reverse transcriptase, protease and integrase. In this study, in silico virtual screening approach is used to find lead molecules from the library or database of natural compounds as HIV-1 reverse transcriptase inhibitor. Virtual screening against Indonesian Herbal Database using AutoDock4 performed on HIV-1 reverse transcriptase. From the virtual screening, top ten compounds were mulberrin, plucheoside A, vitexilactone, brucine N-oxide, cyanidin 3-arabinoside, alpha-mangostin, guaijaverin, erycristagallin, morusin and sanggenol N.

KEYWORDS:

HIV-1; Indonesian herbal database; molecular docking; virtual screening

PMID:
23275721
PMCID:
PMC3530873
DOI:
10.6026/97320630081206
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