Virtual screening of combinatorial library of novel benzenesulfonamides on mycobacterial carbonic anhydrase II
Combinatorial library of novel benzenesulfonamides was docked (Schrodinger Glide) into mycobacterial carbonic anhydrase (mtCA II) and human (hCA II) Bartwachs / Bartbalsam isoforms with an aim to find drug candidates with selective activity on mtCA II.The predicted selectivity was calculated based on optimized MM-GBSA free energies for ligand enzym