Structure-Based Detection of Orthosteric and Allosteric Pockets at Protein-Protein Interfaces
Jan 1, 2018·
,
Da Silva, F.
Rognan, D.
Abstract
Protein-protein interfaces represent challenging but very promising targets to discover novel drugs with exquisite specificity profiles. We herewith chart for the first time all biologically relevant protein-protein interfaces of known X-ray structure and detect potentially druggable cavities at and nearby the interface. These cavities are then converted in simple 3D pharmacophore queries for identifying potential modulators (inhibitors, stabilizers) of druggable interfaces.
Type
Publication
Structure-Based Detection of Orthosteric and Allosteric Pockets at Protein-Protein Interfaces, Methods in Molecular Biology (Clifton, N.J.) 2018 1825 (), 281-294