Structure based virtual screening of inhibitors for binding at the allosteric site of HCV RNA dependent RNA polymerase

Hepatitis C Virus (HCV) infection is a serious cause of chronic liver disease worldwide with more than 170 million infected individuals at a risk of developing significant morbidity and mortality. There is no effective treatment or prevention till date for HCV infection. We describe the computed bin...

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Autores principales: Revikumar, Amjesh, Nair, Achuthsankar Sukumaran, Sundaram, Sugunan Vetha
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Biomedical Informatics 2012
Materias:
Hypothesis
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3449378/
https://www.ncbi.nlm.nih.gov/pubmed/23055616
http://dx.doi.org/10.6026/97320630008716
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author Revikumar, Amjesh
Nair, Achuthsankar Sukumaran
Sundaram, Sugunan Vetha
author_facet Revikumar, Amjesh
Nair, Achuthsankar Sukumaran
Sundaram, Sugunan Vetha
author_sort Revikumar, Amjesh
collection PubMed
description Hepatitis C Virus (HCV) infection is a serious cause of chronic liver disease worldwide with more than 170 million infected individuals at a risk of developing significant morbidity and mortality. There is no effective treatment or prevention till date for HCV infection. We describe the computed binding of 10 compounds to the allosteric binding site of RNA dependent RNA polymerase enzyme. These compounds were identified from the ZINC database through virtual screening followed by ADMET evaluation.
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spelling pubmed-34493782012-10-09 Structure based virtual screening of inhibitors for binding at the allosteric site of HCV RNA dependent RNA polymerase Revikumar, Amjesh Nair, Achuthsankar Sukumaran Sundaram, Sugunan Vetha Bioinformation Hypothesis Hepatitis C Virus (HCV) infection is a serious cause of chronic liver disease worldwide with more than 170 million infected individuals at a risk of developing significant morbidity and mortality. There is no effective treatment or prevention till date for HCV infection. We describe the computed binding of 10 compounds to the allosteric binding site of RNA dependent RNA polymerase enzyme. These compounds were identified from the ZINC database through virtual screening followed by ADMET evaluation. Biomedical Informatics 2012-08-03 /pmc/articles/PMC3449378/ /pubmed/23055616 http://dx.doi.org/10.6026/97320630008716 Text en © 2012 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
Revikumar, Amjesh
Nair, Achuthsankar Sukumaran
Sundaram, Sugunan Vetha
Structure based virtual screening of inhibitors for binding at the allosteric site of HCV RNA dependent RNA polymerase
title Structure based virtual screening of inhibitors for binding at the allosteric site of HCV RNA dependent RNA polymerase
title_full Structure based virtual screening of inhibitors for binding at the allosteric site of HCV RNA dependent RNA polymerase
title_fullStr Structure based virtual screening of inhibitors for binding at the allosteric site of HCV RNA dependent RNA polymerase
title_full_unstemmed Structure based virtual screening of inhibitors for binding at the allosteric site of HCV RNA dependent RNA polymerase
title_short Structure based virtual screening of inhibitors for binding at the allosteric site of HCV RNA dependent RNA polymerase
title_sort structure based virtual screening of inhibitors for binding at the allosteric site of hcv rna dependent rna polymerase
topic Hypothesis
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3449378/
https://www.ncbi.nlm.nih.gov/pubmed/23055616
http://dx.doi.org/10.6026/97320630008716
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