期刊
STEROIDS
卷 161, 期 -, 页码 -出版社
ELSEVIER SCIENCE INC
DOI: 10.1016/j.steroids.2020.108675
关键词
CuAAC; Boc-leucine-1,2,3-triazole; Antibacterial activity; Antifungal activity; Molecular docking; DFT/B3LYP-6113G(d,p)
A library of N-Boc protected Leucine-linked 1,4-disubstituted 1,2,3-triazoles was synthesized and fully characterized, in high yield via copper-catalyzed alkyne-azide cycloaddition (CuAAC) reaction. In vitro antibacterial activity showed that compound 4h found to be more potent than the reference drug Ciprofloxacin (MIC: 0.0196 mu mol/mL) against tested bacterial strains S. entrica, B. subtilis, S. aureus, E. coli and P. auroginosa with MIC: 0.0148, 0.0074, 0.0148, 0.0074, and 0.0074 mu mol/mL, respectively and antifungal activity with MIC: 0.0148 mu mol/mL as compared to reference drug Fluconazole (MIC: 0.0102 mu mol/mL) against A. niger and C. albicans fungal strains. Further, the molecular docking study on 4h and its predecessor alkyne 3 by choosing E. coli topoisomerase II, DNA Gyrase (PDB ID: 1KZN) showed better binding with triazole than alkyne and these results were supported by DFT study using B3LYP/6-311G(d,p) basis set.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据