Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Yanuar, Arry, Suhartanto, Heru, Mun׳im, Abdul, Anugraha, Bram Hik, Syahdi, Rezi Riadhi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2014
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
_version_ 1782305520009347072
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
work_keys_str_mv AT yanuararry virtualscreeningofindonesianherbaldatabaseashiv1proteaseinhibitor
AT suhartantoheru virtualscreeningofindonesianherbaldatabaseashiv1proteaseinhibitor
AT munimabdul virtualscreeningofindonesianherbaldatabaseashiv1proteaseinhibitor
AT anugrahabramhik virtualscreeningofindonesianherbaldatabaseashiv1proteaseinhibitor
AT syahdireziriadhi virtualscreeningofindonesianherbaldatabaseashiv1proteaseinhibitor