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• W4313478527 endingPage "100765" @default.
• W4313478527 startingPage "100765" @default.
• W4313478527 abstract "In the present work, with the hope of obtaining an active and less toxic anti-microbial and antioxidant agent, it was designed to synthesize novel benimidazole semicarbazide derivatives (F1-F5) by conventional method. A novel series of 1-(substituted benzylidene)-4-(4-(3-oxo-3-(1-(piperidin-1-ylmethyl)-1Hbenzoimidazol-2-yl) prop-1-enyl) phenyl) semicarbazide F1-F5 were synthesized from o-phenylenediamine by using multi-step synthesis. IR, 1H NMR, 13C NMR Mass spectroscopy and elemental analysis data of the synthesized compounds are in accordance with the assigned structures. The B3LYP/6311G method is used to investigate novel compounds, its electronic characteristics are evaluated using density functional theory. All the title compounds were evaluated for their in-vitro anti-microbial activity against three bacteria and three fungi by the agar well diffusion method at three different concentrations and for antioxidant activity by the DPPH (2,2-diphenyl-1-picrylhydrazyl) Scavenging method. Among the synthesized compounds, F2 and F4 showed significant antibacterial activity, whereas compound F3 showed significant antifungal activity. Compound F1 showed moderate to good antibacterial and antifungal activity against selected strains with the SAR study, it was observed that the compounds having electron withdrawing moiety exhibited better antibacterial activity than compounds having electron donating moieties, whereas in antifungal it is vice versa. Out of five compounds, compound F2 exhibited the most potent antibacterial and antifungal activity, while compound F3 exhibited potent antioxidant activity. As a result, the compounds F2 and F3 could serve as pilot molecules for the further development of a novel class of antimicrobial agents." @default.
• W4313478527 created "2023-01-06" @default.
• W4313478527 creator A5026666873 @default.
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• W4313478527 date "2023-01-01" @default.
• W4313478527 modified "2023-10-03" @default.
• W4313478527 title "Novel Benzimidazole linked piperidine derivatives screened for antibacterial and antioxidant properties with Density Functional and Molecular Mechanic tools" @default.
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• W4313478527 doi "https://doi.org/10.1016/j.rechem.2023.100765" @default.
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