Pyridine coupled pyrazole analogues as lethal weapon against MRSA: An in-vitro and in-silico approach

Nanjundaswamy, S. and Jayashankar, J. and Renganathan, R. R. Arun and Karthik, C. S. and Mallesha, L. and Mallu, P. and Rai, V. Ravishankar (2022) Pyridine coupled pyrazole analogues as lethal weapon against MRSA: An in-vitro and in-silico approach. Microbial Pathogenesis, 166. ISSN 1096-1208

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The treatment of Methicillin-resistant staphylococcus aureus (MRSA) infections has become challenging due to the growth of multidrug resistance in the bacteria. Here we report the synthesis of pyridine-coupled pyrazoles as an antimicrobial agent against MRSA. A series of pyridine coupled pyrazoles were synthesized and synthesized compounds were characterized using FT-IR, H-1 NMR, and Mass spectroscopy. The ADMET results of all the 14 active compounds are interpreted. To identify the potent compound the synthesized compounds screened for minimum inhibitory concentrations against MRSA and compared with standard drug vancomycin. Among the synthesized compounds 6d exhibited good antibacterial activity with MIC value 21 mu g/mL, bacterial cell membrane damage study was studied potassium efflux, and cellular content leakage assay. Anticoagulant study for the potent compound also studied and validated by molecular docking and molecular dynamics simulation studies. The docking study of the synthesized compound was carried out and the study depicted that the pyridine ring of all the analogues binds with the various amino acids in the binding pocket of the active site of the Staphylocoagulase and PBP2a protein of MRSA.

Item Type: Article
Uncontrolled Keywords: Pyrazole; Pyridine; MRSA; Molecular docking; Molecular dynamics; Staphylocoagulase; PBP2a
Subjects: B Life Science > Microbiology
Divisions: Department of > Microbiology
Depositing User: C Swapna Library Assistant
Date Deposited: 03 Oct 2023 05:59
Last Modified: 03 Oct 2023 05:59

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