Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q15569
UPID:
TESK1_HUMAN
Alternative names:
Testicular protein kinase 1
Alternative UPACC:
Q15569; Q8IXZ8
Background:
Dual specificity testis-specific protein kinase 1 (DSTPK1) exhibits dual specificity kinase activity, impacting both serine/threonine and tyrosine residues. It plays a pivotal role in cellular cytoskeleton regulation, enhancing actin stress fiber formation and inhibiting microtubule breakdown. DSTPK1's influence extends to podocyte motility regulation and integrin-mediated cell spreading through cofilin phosphorylation. Additionally, it suppresses ciliogenesis and facilitates YAP1 nuclear localization, impacting transcriptional repression of key genes.
Therapeutic significance:
Understanding the role of Dual specificity testis-specific protein kinase 1 could open doors to potential therapeutic strategies.