Antimicrobial Screening, in Silico Studies and QSAR of Chalcone-based 1,4-disubstituted 1,2,3-triazole Hybrids

被引：5

作者：

Yadav, Pinki ^{[1
]}

Lal, Kashmiri ^{[1
]}

Kumar, Ashwani ^{[2
]}

机构：

[1] Guru Jambheshwar Univ Sci & Technol, Dept Chem, Hisar 125001, Haryana, India

[2] Guru Jambheshwar Univ Sci & Technol, Dept Pharmaceut Sci, Hisar, Haryana, India

来源：

DRUG RESEARCH | 2021年 / 71卷 / 03期

关键词：

1,4-Disubstituted 1,2,3-triazoles; Chalcones; antimicrobial activity; docking simulation; BIOLOGICAL EVALUATION; DESIGN; DESCRIPTORS; SYSTEM;

D O I：

10.1055/a-1296-7751

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The in vitro antimicrobial properties of some chalcones (1a-1c) and chalcone tethred 1,4-disubstituted 1,2,3-triazoles (2a-2u) towards different microbial strains viz. Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Pseudomonas aeruginosa, Aspergillus niger and Candida albicansare reported. Compounds 2g and 2u exhibited better potency than the standard Fluconazole with MIC values of 0.0063 mu mol/mL and 0.0068 mu mol/mL, respectively. Furthermore, molecular docking was performed to investigate the binding modes of two potent compounds 2q and 2g with E. colitopoisomerase II DNA gyrase B and C. albicanslanosterol 14 alpha-demethylase, respectively. Based on these results, a statistically significant quantitative structure activity relationship (QSAR) model was successfully summarized for antibacterial activity against B. subtilis.

引用

页码：149 / 156

页数：8

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