Novel Allosteric Sites on Ras for Lead Generation

  title={Novel Allosteric Sites on Ras for Lead Generation},
  author={Barry J. Grant and Suryani Lukman and Harrison J. Hocker and Jaqueline Sayyah and Joan Brown and James Andrew McCammon and Alemayehu A. Gorfe},
  booktitle={PloS one},
Aberrant Ras activity is a hallmark of diverse cancers and developmental diseases. Unfortunately, conventional efforts to develop effective small molecule Ras inhibitors have met with limited success. We have developed a novel multi-level computational approach to discover potential inhibitors of previously uncharacterized allosteric sites. Our approach couples bioinformatics analysis, advanced molecular simulations, ensemble docking and initial experimental testing of potential inhibitors… CONTINUE READING