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New library of pyrazole–imidazo[1,2‐α]pyridine molecular conjugates: Synthesis, antibacterial activity and molecular docking studies
Author(s) -
Ebenezer Oluwakemi,
Awolade Paul,
Koorbanally Neil,
Singh Parvesh
Publication year - 2020
Publication title -
chemical biology and drug design
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.59
H-Index - 77
eISSN - 1747-0285
pISSN - 1747-0277
DOI - 10.1111/cbdd.13632
Subject(s) - pyrazole , chemistry , docking (animal) , antibacterial activity , klebsiella pneumonia , combinatorial chemistry , escherichia coli , stereochemistry , pseudomonas aeruginosa , pyridine , in vitro , active site , benzimidazole , biochemistry , bacteria , enzyme , biology , organic chemistry , medicine , nursing , genetics , gene
A library of novel pyrazole–imidazo[1,2‐α]pyridine scaffolds was designed and synthesized through a one‐pot three‐component tandem reaction. The structures of synthesized conjugates were confirmed by spectroscopic techniques (NMR, IR and HRMS). In vitro antibacterial evaluation of the twelve synthesized molecules ( 7a , 8a–k ) against methicillin‐resistant Staphylococcus aureus and normal strains of Escherichia coli , Salmonella typhimurium , Klebsiella pneumonia and Pseudomonas aeruginosa established 8b , 8d , 8e , 8h and 8i as potent antibacterial agents with superior minimum bactericidal concentration, compared with standard drug ciprofloxacin. Molecular docking studies of all active compounds into the binding site of glucosamine‐6‐phosphate synthase were further performed in order to have a comprehensive understanding of putative binding modes within the active sites of the receptor.