Nowadays, integration of computational capabilities with chemistry development process significantly increases quality and value of resulting products. To elaborate value-added products and services Enamine continuously extends its strategic collaboration with ChemBio Center of Kiev National University. Cutting-edge developments of ChemBio Center applied to Enamine chemistry development process allow rapid identification of favorable integrated solutions with development of targeted libraries as the largest joint project.

Ligand-Based Approach Targeted Libraries (LBA)

Ligand Based Approach Targeted Libraries as being requested frequently are considered as important constituent of Enamine products. At the moment we offer platform generic libraries against GPCR, kinases, Ion channel and proteases. These library features broad spectrum activity within class and high compound diversity. We employ QSAR type program PASS or BKD based proprietary algorithm to design LBA targeted libraries against individual proteins or activities.

Additionally we have developed antiviral set that is excellent source of compounds for studies against various infection diseases.Finally, we have developed Agro-like set that consists of fungicides, herbicides and insecticides sub-libraries. This is unique proposition on the market.

Receptor-Based Approach Targeted Libraries (RBA)

Receptor Based Libraries are developed using docking approach. We offer libraries for three pharmaceutically important classes: proteases, kinases, and nuclear receptors. Protease platform include libraries against TPA, Caspase-3, CathepsinG, Thrombin and FXa. To design Kinase targeted libraries we selected following enzymes GSK3-beta, AKT2, c-Src, CDK2, CDK5, CK2, p38 and ERBB-HER1. Finally, to develop Nuclear Receptor platform we performed virtual screening against THRbeta-1 (agonist), RARgamma-2 (antagonist), PPARgamma (agonist), Glucocorticoid (agonist and antagonist), Estrogen-beta (agonist and antagonist) and Vitamin D (agonist). Prior virtual screening our specialists individually develop post-docking filtering criteria to accurately process resulted complexes. Due to the robust post docking filtering procedure these libraries feature low overlap within class and strict consistency with pharmacophore models. An additional advantage of Enamine targeted libraries is that follow up libraries could be rapidly designed and prepared from discovered hits.

Hit Diversified Targeted Libraries (HD)

Hit Diversified libraries are combination of virtual screening expertise with chemical capabilities of Enamine company. The libraries are considered as comprehensive coverage of chemical space around a hit compound. Hit compound may arrive from screening of RBA/LBA targeted libraries or from customer side. Analysis of SAR data by both synthetic and computational chemists results in design of derivatives and bioisosteric scaffolds around active compounds.

General Information On Supply

Quality of compounds in the targeted libraries is controlled by 100% NMR checks and LC/MS analysis and refers to the Enamine's high standards (>90%).

Either whole library or individual compounds may be ordered. Regular discounts depending on the number of ordered compounds are applied.