Paper Title
The Study of the Enzymatic Inhibition of Carbonic Anhydrase -II by a Series of 1-Desazapurins by Molecular Modeling

Abstract
Molecular modeling techniques are widely used in chemical, pharmaceutical industries. Our theoretical approach enables to predict the mode of interaction of a ligand with its receptor. The hyperactive enzyme like carbonic anhydrase -II was selected for our study, it has been involved in the glaucoma, epilepsy, leukemia and cystic fibrosis. For this reason, a series of nitrogenous heterocyclic rings including the derivatives of 1-deazapurins were studied by molecular modeling using MOE (Molecular Operating Environment) software (1) to predict their interaction with the enzyme carbonic anhydrase- II. It was concluded that ligand_11 is the best inhibitor for the enzyme carbonic anhydrase -II. The result found is in agreement with the experimental result (2). Keywords - Molecular modeling, DFT (density functional theory), Drug research, Derivatives of 1-Deazapurines