Exploring the substructural space of indole-3-carboxamide derivatives binding to renin: a novel active-site spatial partitioning approach.

@article{Jing2012ExploringTS,
  title={Exploring the substructural space of indole-3-carboxamide derivatives binding to renin: a novel active-site spatial partitioning approach.},
  author={Tao Jing and Jian Feng and Yumei Zuo and Boli Ran and Jian-ping Liu and Guoxiang He},
  journal={Journal of molecular modeling},
  year={2012},
  volume={18 9},
  pages={4417-26}
}
Renin has recently attracted much attention in the antihypertensive community, since this enzyme starts the angiotensin-converting cascade and forms the rate-limiting step in this cascade. In the present study, we describe a new method called active-site spatial partitioning (ASSP) for quantitatively characterizing the nonbonding interaction profile between renin and the substructures of indole-3-carboxamide derivatives-a novel class of achiral renin inhibitors that exhibit both high affinity… CONTINUE READING

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