Homology modeling and docking studies of 3-oxoacyl synthase II protein of Neisseria meningitidis

Meningitis disease is the inflammation of protective membrane covering the brain and spinal cord known collectively as the meninges. The bacterial meningitis disease has repeatedly causes outbreak worldwide. Neisseria meningitidis (NM) is major causative agent of bacterial meningitis. The 3 oxoacyl (acyl carrier protein) synthase II enzyme which involved in fatty acid biosynthesis of Neisseria meningitidis. This enzyme is involved in fatty acid synthesis and target to discovery of novel antibacterial agent. In this study insilico analysis was done. Modeller was used to generate three dimensional (3D) structure modeling of 3 oxoacyl synthase II using wild type E. coli fabF (KASII) (PDB ID2GFW) protein 3D structure. The validation of modeled structure protein was using structural analysis and verification server (SAVES) tools. Ligands selection was performed using Drugbank and PubChem databases used for the molecular docking of protein and ligands compounds. Present investigation may show good interaction energy values of protein and ligand to understand functional aspect to development of novel drug against Meningitis disease using insilico approach. Index termDocking, Inflammation, Insilico, KASII, Modeller, Neisseria meningitidis. —————————— u ——————————