Abstract
This work investigates the possibility of improving the biological activity of Telaprevir; an HCV NS3 protease inhibitor. This is carried out through the suggestion of 11 modified compounds of Telaprevir and calculating their electronic and Quantitative Structure Activity Relationship (QSAR) parameters using molecular modeling via PM3 method. Results show that the compound number 6 (with 1,3dithiolane ring at position R2) has more favorable electronic and QSAR parameters compared to Telaprevir. Therefore, this modified compound would be considered as a promising novel HVC NS3 protease inhibitor.
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