Quantitative structure-activity relationship (QSAR) and molecular modeling studies have
been performed on a series of indole-based pyridone analogues as hepatitis C virus (HCV) NS5B polymerase
inhibitors. A multiple linear regression (MLR) analysis has shown that the presence of hydrogen-
bond donors in the molecule plays a negative role, but the substituents present on the indole ring sterically favor
the activity of indole-based pyridine analogues. Using the MLR analysis model, some new analogues of indole-based
pyridone with better potency have been predicted. Docking study has been performed on all the predicted compounds to
study their binding modes with the receptor.
Keywords: Indole-based pyridone analogues, Hepatitis C virus inhibitors, NS5B polymerase inhibitors, Quantitative structureactivity
relationships, Molecular docking.
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