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.
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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P57078
UPID:
RIPK4_HUMAN
Alternative names:
Ankyrin repeat domain-containing protein 3; PKC-delta-interacting protein kinase
Alternative UPACC:
P57078; Q96KH0
Background:
Receptor-interacting serine/threonine-protein kinase 4, also known as Ankyrin repeat domain-containing protein 3 or PKC-delta-interacting protein kinase, plays a pivotal role in stratified epithelial development. It is a direct transcriptional target of TP63 and is involved in NF-kappa-B activation, highlighting its significance in cellular signaling pathways.
Therapeutic significance:
Linked to Bartsocas-Papas syndrome and CHAND syndrome, this protein's genetic variants underscore its clinical importance. Understanding the role of Receptor-interacting serine/threonine-protein kinase 4 could open doors to potential therapeutic strategies for these genetic disorders.