title: Novel enoyl-ACP reductase (FabI) potential inhibitors of Escherichia coli from Chinese medicine monomers.
abstract: By structure-based virtual screening and experimental verification, two Chinese medicine monomers, luteolin and curcumin, had been proved to be uncompetitive inhibitors of enoyl-ACP reductase from Escherichia coli (EcFabI) with the inhibition constant (K(i)) of 7.1microM and 15.0microM, respectively. In particular, curcumin had apparent antibacterial activity against E. coli, and the minimum inhibition concentration (MIC(90)) was 73.7microg/mL. Importantly, fabI-overexpressing E. coli showed reduced susceptibility to the inhibitor compared with the wild-type strains, demonstrating that its antibacterial action is mediated by the inhibition of EcFabI.
authors: State Key Laboratory of Agricultural Microbiology and National Engineering Research Center of Microbial Pesticides, Huazhong Agricultural University, Wuhan 430070, PR China.
authors: Jingjing
authors: J
authors: Yao
authors: Qingye
authors: Q
authors: Zhang
authors: Jun
authors: J
authors: Min
authors: Jin
authors: J
authors: He
authors: Ziniu
authors: Z
authors: Yu
mesh_terms: D000900:Anti-Bacterial Agents / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology; D001665:Binding Sites; D003198:Computer Simulation; D003474:Curcumin / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology; D050753:Enoyl-(Acyl-Carrier-Protein) Reductase (NADH) / Q000037:antagonists & inhibitors* / Q000378:metabolism; D004926:Escherichia coli / Q000201:enzymology*; D029968:Escherichia coli Proteins / Q000037:antagonists & inhibitors* / Q000378:metabolism; D054889:Fatty Acid Synthase, Type II; D047311:Luteolin / Q000737:chemistry* / Q000302:isolation & purification / Q000494:pharmacology; D008516:Medicine, Chinese Traditional
chemical_list: D000900:Anti-Bacterial Agents; D029968:Escherichia coli Proteins; D050753:Enoyl-(Acyl-Carrier-Protein) Reductase (NADH); C493924:fabI protein, E coli; D054889:Fatty Acid Synthase, Type II; D003474:Curcumin; D047311:Luteolin