2009, English, Unpublished edition: What Differs on the Enzymatic Acetylation Mechanisms for Arylamines and Arylhydrazines Substrates? A Theoretical Study Qing-An Qiao; Xiao-Min Sun; Jie Jing; ...

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Physical Description
  • Research Letter
Published
  • Hindawi Publishing Corporation
  • 2009
Language
  • English

Edition details

Title
  • What Differs on the Enzymatic Acetylation Mechanisms for Arylamines and Arylhydrazines Substrates? A Theoretical Study
Creator
  • Qing-An Qiao
  • Xiao-Min Sun
  • Jie Jing
  • Xin Chen
  • Hua-Yang Wang
  • Chuan-Lu Yang
  • Zheng-Ting Cai
Published
  • Hindawi Publishing Corporation
  • 2009
Physical Description
  • Research Letter
Notes
  • The acetylation mechanisms of several selected typical substrates from experiments, including arylamines and arylhydrazines, are investigated with the density functional theory in this paper. The results indicate that all the transition states are characterized by a four-membered ring structure, and hydralazine (HDZ) is the most potent substrate. The bioactivity for all the compounds is increased in a sequence of . The conjunction effect and the delocalization of the lone pairs of N atom play a key role in the reaction. All the results are consistent with the experimental data.
Language
  • English
Contributed by
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