title: In silico analysis of different generation β lactams antibiotics with penicillin binding protein-2 of Neisseria meningitidis for curing meningococcal disease.
abstract: Neisseria meningitidis is a gram negative, diplococcic pathogen responsible for the meningococcal disease and fulminant septicemia. Penicillin-binding proteins-2 (PBPs) is crucial for the cell wall biosynthesis during cell proliferation of N. meningitidis and these are the target for β-lactam antibiotics. For many years penicillin has been recognized as the antibiotic for meningococcal disease but the meningococcus has seemed to be antibiotic resistance. In the present work we have verified the molecular interaction of Penicillin binding protein-2 N. meningitidis to different generation of β-lactam antibiotics and concluded that the third generation of β-lactam antibiotics shows efficient binding with Penicillin binding protein-2 of N. meningitidis. On the basis of binding efficiency and inhibition constant, ceftazidime emerged as the most efficient antibiotic amongst the other advanced β-lactam antibiotics against Penicillin-binding protein-2 of N. meningitidis.
authors.affiliation: Center of Bioinformatics, University of Allahabad, Allahabad, India, vijaytripathi84@gmail.com.
authors.forename: Vijay
authors.initials: V
authors.lastname: Tripathi
authors.forename: Pooja
authors.initials: P
authors.lastname: Tripathi
authors.forename: Navita
authors.initials: N
authors.lastname: Srivastava
authors.forename: Dwijendra
authors.initials: D
authors.lastname: Gupta
mesh_terms: D000595:Amino Acid Sequence; D000900:Anti-Bacterial Agents / Q000494:pharmacology* / Q000627:therapeutic use; D001426:Bacterial Proteins / Q000378:metabolism*; D002442:Ceftazidime / Q000494:pharmacology / Q000627:therapeutic use; D002473:Cell Wall / Q000378:metabolism; D003198:Computer Simulation; D004352:Drug Resistance, Microbial / Q000187:drug effects*; D006801:Humans; D008589:Meningococcal Infections / Q000188:drug therapy / Q000382:microbiology*; D008826:Microbial Sensitivity Tests; D008954:Models, Biological; D008958:Models, Molecular; D008969:Molecular Sequence Data; D009345:Neisseria meningitidis / Q000187:drug effects* / Q000378:metabolism / Q000472:pathogenicity; D046915:Penicillin-Binding Proteins / Q000378:metabolism*; D010406:Penicillins / Q000627:therapeutic use; D011485:Protein Binding; D017385:Sequence Homology; D047090:beta-Lactams / Q000494:pharmacology* / Q000627:therapeutic use
chemical_list: D000900:Anti-Bacterial Agents; D001426:Bacterial Proteins; D046915:Penicillin-Binding Proteins; D010406:Penicillins; D047090:beta-Lactams; D002442:Ceftazidime