February 03, 2017

New Screening Libraries from Life Chemicals

Life Chemicals continues expanding the spectrum of its products for drug discovery, and today we are announcing the next release of a variety of our new Screening Libraries.  

Antiinflammatory Library 1'400 potential antiinflammatory agents were identified in Life Chemicals' stock collection by virtual docking screening. The following enzyme targets involved in inflammation cascade have been considered: Pi3KC, PTP1B, LTA4, JAK3, COX2, SK1, SPL1, SYK, RORγ, LRRK2, iNOS. Protein structural data from RCSB protein data bank along with the information on active inhibitors from ChEMBL database were used to construct the docking models.
Low MW Fragment Library The Library is aimed at leads with lower molecular weight and higher hydrophilicity. Over 3'000 high quality stock available Fragments were selected by means of strict control of molecular weight (100-225 Da) as well as some other essential physico-chemical parameters (cLogP, HDonors, HAcceptors, TPSA, RotB) and subsequent passing through a number of structural filters (MedChem, PAINS). In addition, Advanced Low MW Fragment set of nearly 1'500 compounds was also generated by using even more rigorous physico-chemical and structural cut-offs.
Veterinary Library The Library totally contains 241 stock available chemicals including full structural analogs and compounds structurally similar to those from the reference set of FDA approved veterinary drugs. For each compound a similarity value and a corresponding reference compound from DrugBank are indicated.