ChemDiv team assembled a focused library of Bromodomains (BRDs) inhibitors/modulators. This library represents a selection of drug-like compounds aimed at modulating protein-protein interaction of BRD containing proteins with different partners involved in significant physiological process. Library of 7,500-compound has been assembled using i) in house structural biology insight, ii) molecular simulation-modeling; iii) virtual screening of ChemDiv’s novel chemistries and iv) medicinal chemistry filtering/ranking of the resulting hits.

Introduction: A combination of modeling, structural biology and proprietary chemistry tools to better understand and target key protein-protein interactions (PPI’s) (PDF)

Part 1: Targeting Specific Domains of Catenin (PDF)

Part 2: Targeting the Helix-Helix Interaction of MEF2-HDAC4, 5, 7 and 9 (PDF)

Part 3: Targeting Bromodomains BRD2-4 (PDF)