Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P29597
UPID:
TYK2_HUMAN
Alternative names:
-
Alternative UPACC:
P29597; Q6QB10; Q96CH0
Background:
Non-receptor tyrosine-protein kinase TYK2 plays a pivotal role in the signaling pathways of cytokines and interferons, influencing cell growth, immunity, and development. It acts by associating with cytokine receptor complexes, activating STAT family members, and regulating gene expression in response to external signals.
Therapeutic significance:
TYK2's involvement in Immunodeficiency 35, characterized by recurrent infections and elevated IgE levels, highlights its potential as a target for therapeutic intervention in immune disorders.