Lead Optimization Computational Protocol at PDB Scale to Rationally Optimize Attachments to a Given Kinase Inhibitor Scaffold
Poster Jan 18, 2008
We’ve used MED-SuMo to query and mine the Protein’s Surface Chemical Functions surrounding fragments of PDB ligands, seeking similarities with the kinase of interest (Vegfr DFGout, pdb code 2oh4, ligand code GIG) and collecting a library of 1129 unique fragments positioned in the vegfr’s active site and annotated with the counts of contacts and h-bonds. With them we optimize a substructure of the GIG ligand to find others DFGout ligands.
Exploiting Polypharmacology in Precision Oncology: Identification of Differential Kinase Off-targets Among Clinical PARP InhibitorsPoster
Can we use computational methods to identify previously unknown off-targets of PARP inhibitors that can explain their observed differences?READ MORE
Bioluminescent Assay for GTPases Allows Measurement of GTPase, GAP and GEF ActivitiesPoster
We have developed a homogenous bioluminescent assay (GTPase-Glo) system to analyze these proteins in a simple, convenient “add-mix-read” format.READ MORE
NanoBRET™ Assays for Monitoring Protein Interactions in Living CellsPoster
NanoBRET PPI System is composed of two components.
NanoBRET offers improved S:B over other BRET assays.
NanoBRET provides sensitive live-cell method to study protein interactions.