DESIGN AND MOLECULAR MODELING STUDIES OF NOVEL BENZIMADAZOLE DERIVATIVES

Abstract

In this present study, Molecular docking studies were performed to 12 novel derivatives of Benzimidazole. And the interaction between ligand and receptor were brought in focus some important interaction at the molecular level. The synthesized compounds were estimated for “Binding Free Energy”, Vander wall’s energy, Electrostatic Energy, Total Intermolecular Energy and Interaction surface of the ligand and protein. A novel substituted benzimadazole derivatives were designed and docked into the active site of cycloxagenase I further studies have been carried out to know affinity, orientation and binding mode.