Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O15530
UPID:
PDPK1_HUMAN
Alternative names:
-
Alternative UPACC:
O15530; H0Y4Z0; Q59EH6; Q6FI20; Q8IV52; Q9BRD5
Background:
3-phosphoinositide-dependent protein kinase 1 (PDK1) is a serine/threonine kinase pivotal in cellular signaling. It phosphorylates and activates AGC family kinases, including AKT, RPS6KB1, and PRKACA, influencing cell proliferation, survival, and metabolism. PDK1's role extends to modulating TGF-beta signaling, adipocyte differentiation, NF-kappa-B pathway activation, and vascular endothelial cell motility. It also impacts cardiac function, thymocyte development, and macrophage responses.
Therapeutic significance:
Understanding the role of 3-phosphoinositide-dependent protein kinase 1 could open doors to potential therapeutic strategies.