Synthesis, antimicrobial evaluation, and docking studies of some novel benzofuran based analogues of chalcone and 1,4-benzodiazepine
- 作者: Shankar B.1, Jalapathi P.1, Ramesh M.1, Kumar A.1, Ragavender M.1, Bharath G.2
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隶属关系:
- Department of Chemistry, University College of Science
- Bioengineering and Environmental Sciences
- 期: 卷 86, 编号 7 (2016)
- 页面: 1711-1721
- 栏目: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/215784
- DOI: https://doi.org/10.1134/S107036321607029X
- ID: 215784
如何引用文章
详细
A series of novel {5-[4-hydroxy-3-(4-phenyl-2,3-dihydro-1H-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, 1H NMR, 13C 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.
作者简介
B. Shankar
Department of Chemistry, University College of Science
Email: pochampallij@gmail.com
印度, Saifabad, Hyderabad, Telangana, 500004
P. Jalapathi
Department of Chemistry, University College of Science
编辑信件的主要联系方式.
Email: pochampallij@gmail.com
印度, Saifabad, Hyderabad, Telangana, 500004
M. Ramesh
Department of Chemistry, University College of Science
Email: pochampallij@gmail.com
印度, Saifabad, Hyderabad, Telangana, 500004
A. Kumar
Department of Chemistry, University College of Science
Email: pochampallij@gmail.com
印度, Saifabad, Hyderabad, Telangana, 500004
M. Ragavender
Department of Chemistry, University College of Science
Email: pochampallij@gmail.com
印度, Saifabad, Hyderabad, Telangana, 500004
G. Bharath
Bioengineering and Environmental Sciences
Email: pochampallij@gmail.com
印度, Hyderabad, 500007
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