Docking and Molecular Modelling of the Target - Penicillin Binding Protein -1A of Haemophilus influenzae.
- Resource Type
- Article
- Authors
- Jyothi, B. N. Ramya; Prasad, K. Siva; Krupanidhi, S.
- Source
- Current Trends in Biotechnology & Pharmacy. Jul2011, Vol. 5 Issue 3, p1318-1324. 7p. 2 Black and White Photographs, 2 Charts, 1 Graph.
- Subject
- *PENICILLIN
*CARRIER proteins
*BACTERIAL cell walls
*PEPTIDOGLYCANS
*HAEMOPHILUS influenzae
*PNEUMONIA
*ANTIBACTERIAL agents
- Language
- ISSN
- 0973-8916
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. [ABSTRACT FROM AUTHOR]