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

ABSTRACT: 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.

SUBMITTER: Revikumar A 

PROVIDER: S-EPMC3449378 | biostudies-literature | 2012

REPOSITORIES: biostudies-literature

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

Revikumar Amjesh A   Nair Achuthsankar Sukumaran AS   Sundaram Sugunan Vetha SV  

Bioinformation 20120803 15

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 evaluatio  ...[more]

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