Asian Journal of Research in Pharmaceutical Sciences

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In silico Analysis of Flavanones capable of inhibiting covid19 RNA dependent RNA polymerase


Affiliations
1 Department of Chemistry, PSGR Krishnammal College for Women, Coimbatore, Tamil Nadu,, India
2 Department of Chemistry, PSGR Krishnammal College for Women, Coimbatore, Tamil Nadu, India
     

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Virtual screening of flavanone against RdRp of SARS-CoV-2 was carried out using AutoDock Vina and ligPlot. Out of 16 compounds screened, Eriodictyol, Naringin, Hesperidin Methylchalcone were found to have good affinity values for binding. While Eriodictyol binds to amino acids, R836, K849, R858, Naringin binds to S814, R836, R858 and Hesperidin Methylchalcone binds to amino acids D760, S814, R836 amino acids are present in RdRp of covid19. Since these amino acids bind to the primer RNA, binding of flavanones to these amino acids could destabilize the replication complex and may inhibit viral RNA replication. All the compounds pass ADMET test indicating their drug potential.

Keywords

SARS-CoV-2, RNA Dependent RNA polymerase (RdRp), Flavanone, drug like properties.
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  • In silico Analysis of Flavanones capable of inhibiting covid19 RNA dependent RNA polymerase

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Authors

G. Kowsalya
Department of Chemistry, PSGR Krishnammal College for Women, Coimbatore, Tamil Nadu,, India
S. Shanmugasundaram
Department of Chemistry, PSGR Krishnammal College for Women, Coimbatore, Tamil Nadu, India

Abstract


Virtual screening of flavanone against RdRp of SARS-CoV-2 was carried out using AutoDock Vina and ligPlot. Out of 16 compounds screened, Eriodictyol, Naringin, Hesperidin Methylchalcone were found to have good affinity values for binding. While Eriodictyol binds to amino acids, R836, K849, R858, Naringin binds to S814, R836, R858 and Hesperidin Methylchalcone binds to amino acids D760, S814, R836 amino acids are present in RdRp of covid19. Since these amino acids bind to the primer RNA, binding of flavanones to these amino acids could destabilize the replication complex and may inhibit viral RNA replication. All the compounds pass ADMET test indicating their drug potential.

Keywords


SARS-CoV-2, RNA Dependent RNA polymerase (RdRp), Flavanone, drug like properties.

References