Molecular Modeling Study of Antibacterial Agents

beta-ketoacyl-acyl carrier protein synthase III (FabH) is an emerging target for the development of novel antibacterial agent.Ligand-based design of a series of benzoylaminobenzoic acid derivatives led to the discovery of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III (FabH). These FabH inhibitors demonstrated potent antibacterial activity (MIC) and as such have the potential to be novel and potent antibacterial agents. Given the unforeseen structural differences within the active site of some pathogenic FabH enzymes the key to discovering inhibitors with broad-spectrum antibacterial activity. The discovery of FabH inhibitors is now of special interest in the treatment of bacterial infection. In the present study a benzoylaminobenzoic acid derivative were designed based on the Pharmacophore modling to identify the pharmacophoric feature required for inhibitory activity CoMFA analysis to identify the essential structural requirements in 3D chemical space for the modulation of FabH inhibitory activity of benzoylaminobenzoic acid derivatives.

Autorentext

Mr. Deepak Kumawat, B. Pharma, M. Pharma (Pharmaceutical Chemistry) and Mrs. Raksha Goswami, B. Pharma, M. Pharma (Pharmacology), currently working as Assistant Professor at Oriental College of Pharmacy and Research, Oriental University, Indore.