Determination of absolute configuration and binding efficacy of benzimidazole-based FabI inhibitors through the support of electronic circular dichroism and MM-GBSA techniques

We have previously reported benzimidazole-based compounds to be potent inhibitors of FabI for Francisella tularensis (FtFabI), making them promising antimicrobial hits. Optically active enantiomers exhibit markedly differing affinities toward FtFabI. The IC(50) of benzimidazole (-)-1 is ∼100× lower...

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Detalhes bibliográficos
Publicado no:Bioorg Med Chem Lett
Main Authors: Ren, Jinhong, Mistry, Tina L, Su, Pin-Chih, Mehboob, Shahila, Demissie, Robel, Fung, Leslie Wo-Mei, Ghosh, Arun K., Johnson, Michael E.
Formato: Artigo
Idioma:Inglês
Publicado em: 2018
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5970947/
https://ncbi.nlm.nih.gov/pubmed/29730028
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmcl.2018.04.052
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