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Title |
Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor
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Authors |
Arry Yanuar1*, Heru Suhartanto2, Abdul Mun’im1, Bram Hik Anugraha1 & Rezi Riadhi Syahdi1* |
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Affiliation |
1Faculty of Pharmacy, Universitas Indonesia, Depok 16424, Indonesia; 2Faculty of Computer Sciences, Universitas Indonesia, Depok 16424, Indonesia
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arry.yanuar@ui.ac.id; *Corresponding author
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Article Type |
Hypothesis
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Date |
Received January 25, 2014; Accepted February 03, 2014; Published February 19, 2014
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Abstract |
HIV-1 (Human immunodeficiency virus type 1)’s 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.
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Keywords |
Indonesian herbal database, HIV-1 protease, molecular docking, virtual screening
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Citation |
Yanuar et al.
Bioinformation 10(2): 052-055 (2014) |
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Edited by |
P Kangueane
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ISSN |
0973-2063
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Publisher |
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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. |