PJB-2021-629
INHIBITORY POTENTIAL AND DRUGABILITY OF PLANT PHYTOCHEMICALS AGAINST NS3/4A PROTEASE OF HEPATITIS C VIRUS
Ghulam Mustafa
Abstract
Hepatitis C virus (HCV) belongs to the Flaviviridae family and is an enveloped, positive and single-stranded RNA virus. The virus causes both acute and chronic infections ranging in severity from mild to serious illness globally. Different antiviral drugs can eliminate the viral load but still there is no definite vaccine has been reported against HCV infection. A long open reading frame (ORF) and a 5′ non-coding region followed by 3′ non-coding region are encoded by the RNA of HCV. A single polyprotein is encoded by this ORF that is cleaved further into ten different proteins (i.e., NH2-Core-E1-E2-p7-NS2-NS3-NS4A-NS4B-NS5A-NS5B-COOH). Among all proteins, the serine protease (i.e., NS3/4A) is believed to be an important protein due to its involvement in the viral replication. The aim of this study was therefore the investigation of natural antiviral compounds with maximum efficacy from different medicinal plants. Among the selected docked compounds, top ten compounds were selected based on their values of pharmacokinetics and S-scores. Gallic acid, berberine, glibenclamide, alpha-tocopherol, alpha-amyrin, arbutin, quercetin, apigenin, apigenin, calcitriol and daidzein were revealed to be potential drug candidates against HCV NS3/4A protease. It is concluded from the current study that the best selected compounds possess antiviral activity and would be used as drug candidates against HCV in future.
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