“…The topmost 30 ligands, having Glide energies in the range from À64.97 to À37.74 kcal mol À1 were selected. One interesting observation that should be mentioned here is that, among the shortlisted ligands, one ligand, ZINC003813042, also known as acetazolamide, is the bound inhibitor of our target protein hCA IX (PDB ID: 3IAI) and two ligands, ZINC004217560 and ZINC058660702, commonly known as tiazofurin and pevonedistat, respectively, are well-known anticancer agents (Popsavin et al, 2016;Swords et al, 2018;Vitale et al, 1997). The fact that we obtained the bound inhibitor and known anticancer agents as hits from the drug library indicates that our methodology of virtual screening to predict new hCA IX inhibitors is apt.…”