Protein kinases are the second most studied group of drug targets after the G protein-coupled receptors. The majority of kinases belong to the serine/threonine protein kinases (STK), and a subset belongs to the tyrosine protein kinases. Currently, protein kinases play a key role in therapeutic intervention. Over the past decade, pharmacologists have continued to develop novel, safe and effective kinase inhibitors. Most kinases are readily inhibited by organic small molecules, and kinase inhibition has been shown to play a crucial role in almost all major disease areas. Moreover, a huge number of structural data on kinase-inhibitor complexes are available for researches. There has been almost universal success in the design and identification of effective protein kinase inhibitors. However, the problems of non-selectivity and crowded IP space pose significant challenges for the successful clinical development of these compounds. Nowadays, the discovery of kinase inhibitor drugs has recently expanded its focus to include a broader range of kinase targets and therapeutic areas.
BOC Sciences has designed a series of kinase libraries capable of performing rapid discovery and design of novel potent kinase inhibitors, providing additional opportunities to target new chemical spaces and achieve selectivity profiles.
Figure 1. An approach toward hypoxia-activatable tyrosine kinase inhibitor prodrugs. (Karnthaler-Benbakka, C.; et al. 2016)
Kinase General Library Design
BOC Sciences has conducted comprehensive research and achieved impressive results in kinase inhibitor development. Based on extensive studies and detailed structural analysis of the known and most potent kinase inhibitors, we have developed many sophisticated methods such as ligand-based and receptor-based approaches to design our kinase libraries:
BOC Sciences protein kinase focused library contains about 32,000 drug-like screening compounds by using a ligand-based approach
Based on the front-end industry standard and known kinase inhibitor structures obtained from various database, we offer a high-quality kinase screening library of nearly 3,000 drug-like screening compounds of potential inhibitors and activators targeting key kinases in cancer and inflammation
Aiming to improve the efficiency of high-throughput screening programs in anticancer drug discovery, BOC Sciences has designed a proprietary kinase-targeted library by employing a docking-based virtual screening strategy
In order to provide drug-like screening compounds with optimal physicochemical properties and maximum diversity, our team develops this protein kinase diversity library which is a collection of 2,000 potential small molecule inhibitors of protein and lipid kinases selected from the BOC Sciences HTS compound collection
Considering tyrosine kinases are a type of attractive biological targets for cancer therapy, BOC Sciences has designed a novel tyrosine kinase screening library containing approximately 5,700 drug-like screening compounds for high-throughput screening (HTS)
The most direct methodology to the design of kinase inhibitors relies heavily on targeting ATP pocket, so we have developed a series of unique structural filters to identify potential inhibitors that target ATP pocket accurately
Allosteric kinase inhibition is one of the most promising and sensitive inactivation mechanisms of kinase activity. BOC Sciences has analyzed all available PDB structures with kinase allosteric inhibitors and used most representative structures for molecular docking calculations to design our unique allosteric kinase library
Figure 2. (a) ATP binding site of a typical protein kinase. (b) In silico screening cascade used to design novel kinaseinhibitor libraries. (Urich, R.; et al. 2013)
Kinase General Library Characteristics
- No PAINS or toxic substances/unwanted functions: filtered by strict ‘Ro5-like’ physicochemical and most stringent in-house structural filters
- Bioactivity and safety confirmed by preclinical studies and clinical trials
- Structural diversity, medicinal activity, and cellular penetration
- Structural document, IC50, and other chemical and biological data are provided
- All compounds are continually updated
- All of these compounds with Tanimoto index ≥ 0.80
- Compound cherry-picking service is provided
What We Deliver
- Delivered within 2 weeks in any customer-preferred format
- Powders, dry films or DMSO solutions formatted in vials, 96 or 384-well plates
- All compounds have a minimum purity of 90% assessed by 1H NMR and HPLC
- Analytical data is provided
BOC Sciences provides professional, rapid and high-quality services of Kinase General Library design at competitive prices for global customers. Personalized and customized services of Kinase General Library design can satisfy any innovative scientific study demands. Our clients have direct access to our staff and prompt feedback to their inquiries. If you are interested in our services, please contact us immediately!
References
- Karnthaler-Benbakka, C.; et al. Targeting a Targeted Drug: An Approach Toward Hypoxia-Activatable Tyrosine Kinase Inhibitor Prodrugs. CHEMMEDCHEM. 2016. 11(21): 2410-2421.
- Urich, R.; et al. De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments. Acs Chemical Biology. 2013. 8(5): 1044-1052.
