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- Title
Synthesis, antimicrobial evaluation, and docking studies of some novel benzofuran based analogues of chalcone and 1,4-benzodiazepine.
- Authors
Shankar, B.; Jalapathi, P.; Ramesh, M.; Kumar, A.; Ragavender, M.; Bharath, G.
- Abstract
A series of novel {5-[4-hydroxy-3-(4-phenyl-2,3-dihydro-1 H-benzo[ b][1,4]diazepin-2-yl)benzyl]- benzofuran-2-yl}(phenyl)methanones ( 5a-5g) were prepared by the condensation of ( E)-3-{5-[(2- benzoylbenzofuran-5-yl)methyl]-2-hydroxyphenyl}-1-phenylprop-2-en-1-one (chalcone) ( 4a) with various substituted o-phenylene diamines in the presence of oxalic acid as catalyst. The structures of all compounds were characterized by FTIR, H NMR, C NMR, and MS. The representative examples were screened in vitro for antimicrobial activity. Among all compounds 4g and 5g showed potent antibacterial activity, 4b and 5g showed good antifungal activity. The data was further compared with structure based investigations using docking studies with the crystal structure of adenosine-5'-(β,γ-imido)triphosphate (2ONJ) from Staphylococcus aureus for antibacterial activity and trypsin (1FY5) protein from Fusarium oxysporum for the antifungal activity. The score values estimated by genetic algorithm were found to have a good correlation with the experimental inhibitory potencies.
- Subjects
PHENYL group; BENZENE compound synthesis; BENZOFURAN synthesis; DIAMINES; FUSARIUM oxysporum; STAPHYLOCOCCUS aureus
- Publication
Russian Journal of General Chemistry, 2016, Vol 86, Issue 7, p1711
- ISSN
1070-3632
- Publication type
Article
- DOI
10.1134/S107036321607029X