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Title

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

 

Authors

Rezi Riadhi Syahdi1, Abdul Mun’im1, Heru Suhartanto2 & Arry Yanuar1*

 

Affiliation

1Faculty of Pharmacy, University of Indonesia, Depok 16424, Indonesia; 2Faculty of Computer Sciences, University of Indonesia, Depok 16424, Indonesia.

 

Email

arry.yanuar@ui.ac.id; *Corresponding authors

 

Article Type

Hypothesis

 

Date

Received November 22, 2012; Accepted November 24, 2012; Published December 08, 2012

 

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

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

 

Citation

Syahdi et al. Bioinformation 8(24): 1206-1210 (2012)
 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.