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Title

Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor 

 

Authors

Arry Yanuar1*, Heru Suhartanto2, Abdul Muníim1, Bram Hik Anugraha1 & Rezi Riadhi Syahdi1*

 

Affiliation

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

 

Email

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

 

Article Type

Hypothesis

 

Date

Received January 25, 2014; Accepted February 03, 2014; Published February 19, 2014

 

Abstract

HIV-1 (Human immunodeficiency virus type 1)ís infection is considered as one of most harmful disease known by human, the survivability rate of the host reduced significantly when it developed into AIDS. HIV drug resistance is one of the main problems of its treatment and several drug designs have been done to find new leads compound as the cure. In this study, in silico virtual screening approach was used to find lead molecules from the library or database of natural compounds as HIV-1 protease inhibitor. Virtual screening against Indonesian Herbal Database with AutoDock was performed on HIV-1 protease. From the virtual screening, top ten compounds obtained were 8-Hydroxyapigenin 8-(2'',4''-disulfatoglucuronide), Isoscutellarein 4'-methyl ether, Amaranthin, Torvanol A, Ursonic acid, 5-Carboxypyranocyanidin 3-O-(6''-O-malonyl-beta-glucopyranoside), Oleoside, Jacoumaric acid, Platanic acid and 5-Carboxypyranocyanidin 3-O-beta-glucopyranoside.

 

Keywords

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

 

Citation

Yanuar  et al Bioinformation 10(2): 052-055 (2014)
 

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.