الفهرس 
Computational studies of hepatitis C virus NS3 protease
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Abstract
Hepatitis C Virus (HCV) is one of the major health problems worldwide. Until the discovery of Direct Acting Antivirals (DAAs), HCV treatment faced many failures. DAAs target key functional machines of the virus life cycle and shut it down. HCV NS3/4A protease is an important target for the viral life cycle and several drugs have been designed to inhibit its functions. There are several NS3/4A protease drugs that are approved by Food and Drug Administration (FDA). Unfortunately, the virus exhibits resistance against these drugs and not all of the drugs are widely effective against all genotypes. In this work, the efficacy of different drugs (approved and in clinical trials) against different HCV genotypes are extensively studied. Homology modeling is used to predict the 3D structures of different genotypes while molecular docking is employed to predict genotype {u2013} drug interactions (Binding Mode) and binding free energy (Docking Score). Results show that Simeprevir (TMC435) and, to a less extent, MK6325 are the most efficient (highly potent) among the studied drugs