Design, synthesis, and biological evaluation of chrysin derivatives as potential FabH inhibitors
New series of chrysin derivatives(4a-4t)were designed and synthesized by introducing different substituted piperazines at C-7 position.Their inhibitory effects on FabH were evaluated using two Gram-negative bacterial strains,Escherichia coli and Pseudomonas aeruginosa,and two Gram-positive bacterial strains,Bacillus subtilis and Staphylococcus aureus.To our delight,most of these compounds exhibited a dramatic increase in inhibitory potency,compared with the control positive drugs.Among them,compound 4s exhibited the most potent inhibitory activity with IC50 values of 5.78 ± 0.24 μm inhibiting E.coli FabH and potent antibacterial activity against S.aureus and E.coli with MIC of 1.25 ± 0.01,1.15 ± 0.12 μg/mL,respectively,comparing to the control positive drugs penicillin G(7.56 ± 0.30 μm).Docking simulation was performed to position compound 4s into the FabH active site,and the result showed that compound 4s could bind well with the FabH as potent FabH inhibitor.
antibacterial activities chrysin derivatives docking FabH synthesis
Hong-Xia Li Zhong-Chang Wang Yu-Mei Qian Xiao-Qiang Yan Ya-Dong Lu Hai-Liang Zhu
School of Life and Food Engineering,Suzhou University,Suzhou Anhui,People”s Republic of China;State State Key Laboratory of Pharmaceutical Biotechnology,Nanjing University,Nanjing,People”s Republic of School of Life and Food Engineering,Suzhou University,Suzhou Anhui,People”s Republic of China Neonatal Medical Center,Nanjing Children”s Hospital of Nanjing Medical University,Nanjing,Jiangsu Pr
国内会议
第九届国际分子模拟与信息技术应用学术会议(ICMS&I2018)
太原
英文
451-455
2018-05-01（万方平台首次上网日期，不代表论文的发表时间）