Abstract
NS3 protease is considered as important antiviral target. By using NS5A/NS5B junction sequences for Egyptian genotype 4a (Glu-Asp-Val-Val-Cys-Cys), a new NS3 protease inhibitors were designed with two groups. The first group has hexapeptide binding to cellulose monomer at position 2, 3 or 6 while the second group has hexapeptide binding to cellulose dimmer at position 2, 3, 6, 2', 3' or 6'. QSAR descriptors of introduced compounds will be calculated at PM3 method and compared with that of natural substrate. The represented results indicate that the second group compounds especially at position 2, 2' and 6' are more hydrophilic and soluble in polar solutions and may increase the interaction of this class of compounds with the NS3 protease active site.