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Table 5 Template molecule, designed molecules, Telaprevir, Simeprevir, and Voxilaprevir with their estimated pIC50 and leverages

From: Computer-aided identification of a series of novel ligands showing high potency as hepatitis C virus NS3/4A protease inhibitors

  1. xTemplate molecule, ydesigned molecules with improved activity, yydesigned molecule with better activity compared to Telaprevir, Simeprevir, and Voxilaprevir, fTelaprevir, sSimeprevir, tVoxilaprevir (f, s, t are first, second and third generation DAAs, respectively)