Theoretical studies on benzimidazole derivatives as E . coli biotin carboxylase inhibitors
作者: Selvaraman NagamaniKarthikeyan MuthusamyPalani KirubakaranKh Dhanachandra SinghGopinath Krishnasamy
作者单位: 1Department of Bioinformatics, Alagappa University
刊名: Medicinal Chemistry Research, 2012, Vol.21 (9), pp.2169-2180
来源数据库: Springer Nature Journal
DOI: 10.1007/s00044-011-9738-6
关键词: Biotin carboxylaseAccCEscherichia coliPhase3D-QSARDocking studiesExternal validation
原始语种摘要: Abstract(#br)Biotin carboxylase (AccC) protein plays an essential role in cell wall biosynthesis in majority of bacterial genera. Inhibition of cell wall biosynthesis might be an ideal way to control the bacterial multiplication in the host system. AccC is one of the promising targets for the antibacterial drugs production. The benzimidazole derivatives are hopeful biotin carboxylase inhibitors, which sensitizes to the Escherichia coli ( E. coli ) and many other bacterial species too. In steam of developing better benzimidazole derivatives, we describe a quantitative pharmacophore model of benzimidazole derivatives using Phase module of Schrödinger LLC. This model suggested that the following features are essential for ligand binding, i.e., two aromatic rings, two hydrogen bond donors,...
全文获取路径: Springer Nature  (合作)
影响因子:1.612 (2012)

  • benzimidazole 苯并咪唑
  • derivatives 派生物
  • carboxylase 羧化酶
  • biotin 生物素