Discovery and computer aided potency optimization of a novel class of small molecule cxcr4 antagonists

HIGHLIGHTS

• who: Victoria Vinader and collaborators from the Institute of Cancer Therapeutics, University of Bradford, Bradford, United Kingdom have published the research work: Discovery and Computer Aided Potency Optimization of a Novel Class of Small Molecule CXCR4 Antagonists, in the Journal: PLOS ONE | www.plosone.org of October/18,/2013
• what: Molecular modelling proved to be a useful tool in rationalising the observed potencies as well as informing the direction of the synthetic efforts aimed at producing more potent compounds. The authors report the identification of ICT5040 a new CXCR4 antagonist chemotype, identified through in silico . . .
  

   

  

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