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Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor
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 be...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Biomedical Informatics
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3937575/ https://www.ncbi.nlm.nih.gov/pubmed/24616554 http://dx.doi.org/10.6026/97320630010052 |
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author | Yanuar, Arry Suhartanto, Heru Mun׳im, Abdul Anugraha, Bram Hik Syahdi, Rezi Riadhi |
author_facet | Yanuar, Arry Suhartanto, Heru Mun׳im, Abdul Anugraha, Bram Hik Syahdi, Rezi Riadhi |
author_sort | Yanuar, Arry |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-3937575 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | Biomedical Informatics |
record_format | MEDLINE/PubMed |
spelling | pubmed-39375752014-03-10 Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor Yanuar, Arry Suhartanto, Heru Mun׳im, Abdul Anugraha, Bram Hik Syahdi, Rezi Riadhi Bioinformation Hypothesis 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. Biomedical Informatics 2014-02-19 /pmc/articles/PMC3937575/ /pubmed/24616554 http://dx.doi.org/10.6026/97320630010052 Text en © 2014 Biomedical Informatics This is an open-access article, which permits unrestricted use, distribution, and reproduction in any medium, for non-commercial purposes, provided the original author and source are credited. |
spellingShingle | Hypothesis Yanuar, Arry Suhartanto, Heru Mun׳im, Abdul Anugraha, Bram Hik Syahdi, Rezi Riadhi Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor |
title | Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor |
title_full | Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor |
title_fullStr | Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor |
title_full_unstemmed | Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor |
title_short | Virtual Screening of Indonesian Herbal Database as HIV-1 Protease Inhibitor |
title_sort | virtual screening of indonesian herbal database as hiv-1 protease inhibitor |
topic | Hypothesis |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3937575/ https://www.ncbi.nlm.nih.gov/pubmed/24616554 http://dx.doi.org/10.6026/97320630010052 |
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