Optimization of CD4/gp120 inhibitors by thermodynamic-guided alanine-scanning mutagenesis.

@article{Liu2013OptimizationOC,
  title={Optimization of CD4/gp120 inhibitors by thermodynamic-guided alanine-scanning mutagenesis.},
  author={Yingyun Liu and A. H. Schoen and Ernesto Freire},
  journal={Chemical biology & drug design},
  year={2013},
  volume={81 1},
  pages={72-8}
}
As protein/protein interactions usually trigger signalling processes, inhibitors of those interactions must preclude protein binding without eliciting the signalling process themselves. To accomplish those goals, small molecules need to target those protein residues that contribute the most to binding (binding hotspots) without disturbing those residues that initiate signalling processes (allosteric hotspots). The availability of a blueprint identifying binding and allosteric hotspots will… CONTINUE READING

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