Using P3S Technology, Precise Selection (design), Synthesis and Screening we have created 3 high-value targeted libraries: Kinase, GPCR and Ion-Channel. Through the unique combination of in-house computational work, organic chemistry and bio-screening, we have our first products that have undergone in-vitro screening.
The GPCR targeted library has 1588 compounds against 14 different targets.A ligand based approach was used in combination with results from initial screening of ASINEX Platinum compounds. Further screening is now in process, at present we have IC 50 data for 5-HT2a and D2 (5HT1a and D1 in the next version).
The Kinase targeted library has 1633 compounds against 6 different targets. A fast-docking approach was used in combination with results from initial screening of ASINEX Platinum compounds.Further screening is now in process, at present we have IC50 data for Csk (p50)), (P38 in the next version). Docking scores and many physio-chemical properties ( Lipinsky rule of 5, Caco2 permeability, TXPSA, solubility etc) are included on our CD.
The Ion-Channel targeted library has 437 compounds against 4 ligand-dependent ion-channels: NMDA, AMPA, GABA, and NAch. A ligand based approach was used based on the structures of known leads (MDDR, CMC) and structure based design (AMPA).