期刊
JOURNAL OF MOLECULAR STRUCTURE
卷 1223, 期 -, 页码 -出版社
ELSEVIER
DOI: 10.1016/j.molstruc.2020.129216
关键词
Imidazole; Pyrazole; Triazole; Hybrid; Antimicrobial; Molecular docking
资金
- DST-PURSE, New Delhi [SR/PURSE Phase 2/40 (G)]
A series of pyrazole-imidazole-triazole hybrids were synthesized and evaluated for antimicrobial activity, with one compound demonstrating excellent potency against A. niger. Molecular docking studies were used to determine the binding conformation of the most active compounds.
A series of eighteen pyrazole-imidazole-triazole hybrid (2-(4-((2-(substituted-1H-pyrazol-1-yl)-4-phenyl1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-N-(substituted)phenylacetami- de) (6a-6r) are synthesized through click reaction between in situ generated 2-azido-N-substituted acetamide and N-propargylated pyrazole-imidazole derivatives which in turn has been obtained regioselectively from 1(1-H-imidazol-2-yl)-1H-pyrazole and propargyl bromide. The structure of synthesized compounds (6a-6r) was confirmed by various spectroscopic studies (1D and 2D NMR, FT-IR, HRMS) and evaluated for antimicrobial activity. The compound 6m demonstrated excellent potency for A. niger (MIC value 0.0064 mu mol/mL); even better than that of the reference drug Fluconazole (MIC value 0.0112 mu mol/mL). Further, the binding conformation of most active compounds was ascertained by molecular docking studies. (C) 2020 Elsevier B.V. All rights reserved.
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