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Molybdenum dinitrosyl Schiff base complexes of dehydroacetic acid and thiourea derivatives: DFT‐experimental characterization and nosocomial anti‐infectious implications
Author(s) -
Mir JanMohammad,
Malik Bashir Ahmad,
Khan Mohd Washid,
Maurya Ram Charitra
Publication year - 2019
Publication title -
journal of the chinese chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.329
H-Index - 45
eISSN - 2192-6549
pISSN - 0009-4536
DOI - 10.1002/jccs.201800337
Subject(s) - chemistry , schiff base , thiourea , molybdenum , stereochemistry , inorganic chemistry , organic chemistry
Pseudomonas and E. coli microorganisms are linked with hospital acquired urinary infections. Also, Streptococcus and Aspergillus are causative agents of infection generally found associated with cancer. The enduring curiosity to design antibiotic compounds against such bugs has driven our attention to synthesize nitric oxide‐bound molybdenum complexes of pyrone‐thiourea derivative‐based Schiff bases directly from molybdate(VI). Structural elucidation of the complexes was carried out based on physicochemical analysis and DFT calculations. Geometric description has shown a suitable cis ‐octahedral structure for the synthesized complexes. Molecular geometry optimization, theoretical spectroscopy, and electron density plots are the main theoretical insights presented herein. Antimicrobial studies of a representative Schiff base ligand, metal salt (ammonium heptamolybdate tetrahydrate), sodium nitrite (NO containing compound), and two of the synthesized complexes at various concentrations were carried out to find their broad spectrum antibiotic potential as nosocomial infection fighting agents. Also, the biological activity was explained in relation to molecular charge topological parameters obtained from computational investigation.