New Benzopyrrole Derivatives: Synthesis and Appraisal of Their Potential as Antimicrobial Agents.

Chemistry & biodiversity(2023)

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摘要
A series of twenty compounds (23-42) were synthesized and characterized by spectral studies in order to explore newer antimicrobial compounds. Majority of the synthesized compounds reported significant antimicrobial property against various pathogenic bacterial and fungal strains with the help of tube dilution method. Significant activities (MIC ranging from 3.9 to 15.62 μg/ml) have been shown against gram-negative and gram-positive bacteria with. In contrast, moderate to outstanding antibacterial activity was reported versus gram-negative bacteria such as E. coli and P. aeruginosa along with gram-positive bacteria such as S. aureus and B. subtilis. While antifungal activity was moderate to excellent against two fungus strains (Candida tropicalis, Candida glabrata). Compounds 25 and 34 had the utmost activity versus gram-positive and gram-negative bacteria too. The antifungal activity of compound 35 was comparable to that of standard. In-silico Molecular docking evaluations were performed for antibacterial and antifungal activities against the target DNA gyrase A (PDB: 1AB4) and 14 alpha-sterol demethylase enzyme (PDB: 1EA1) respectively.  Establishment of several interactions between the ligand 25 and 34 and the active site of residue of both receptors. Thus, data suggest that these ligands could be further explored as potential precursors to develop antimicrobial drugs.
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关键词
benzopyrrole, antimicrobial, antibacterial, antifungal, molecular docking, 3-D QSAR
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