Computational Design, Synthesis, and Biological Evaluation of Small Molecule Anti-cancer Therapeutics

Released on by Matthew Ernest Welsch
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  • Computational Design, Synthesis, and Biological Evaluation of Small Molecule Anti-cancer Therapeutics Book Detail

  • Author : Matthew Ernest Welsch
  • Release Date : 2015
  • Publisher :
  • Genre :
  • Pages :
  • ISBN 13 :
  • File Size : 49,49 MB
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Computational Design, Synthesis, and Biological Evaluation of Small Molecule Anti-cancer Therapeutics by Matthew Ernest Welsch PDF Summary

Book Description: This approach first entails the docking of fragments into multiple sites on a target engaging in protein-protein interactions. The fragment docking results are analyzed for enriched molecular architectures and are then used for the basis of combinatorial in silico libraries. A library is designed in one site and then the top scoring compounds are selected and used to extend into adjacent sites in an iterative docking and design process. This work describes the synthesis, biochemical, cell-based, and in vivo evaluations of inhibitors designed using this approach.

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