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Title |
Virtual screening of Indonesian herbal database as HIV-1 reverse transcriptase inhibitor |
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Authors |
Rezi Riadhi Syahdi1, Abdul Mun’im1, Heru Suhartanto2 & Arry Yanuar1* |
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Affiliation |
1Faculty of Pharmacy, University of Indonesia, Depok 16424, Indonesia; 2Faculty of Computer Sciences, University of Indonesia, Depok 16424, Indonesia.
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arry.yanuar@ui.ac.id; *Corresponding authors
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Article Type |
Hypothesis
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Date |
Received November 22, 2012; Accepted November 24, 2012; Published December 08, 2012
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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.
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Keywords |
Indonesian herbal database, HIV-1, molecular docking, virtual screening
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Citation |
Syahdi et al.
Bioinformation 8(24): 1206-1210 (2012) |
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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. |