Docking and Molecular Modelling of the Target - Penicillin Binding Protein -1A of Haemophilus influenzae

Penicillin binding protein-1A (PBP-1A; IPR011816) plays a pivotal role in the biogenesis of cell-wall and biosynthesis of peptidoglycan in bacteria. It is considered to be a novel target for pneumonia. The present study is to deduce the structure of the PBP-1A using ICM Molsoft and to validate the same with Ramachandran plot. These bioinformatics tools have been used to identify a lead molecule against PBP-1A of Haemophilus influenza. The proposed model structure is further explored for in silico docking studies with suitable inhibitors. The docking scores indicated that the ampicillin could be a better inhibitor among the seven antibiotics chosen in the present investigation.