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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P19784
UPID:
CSK22_HUMAN
Alternative names:
-
Alternative UPACC:
P19784
Background:
Casein kinase II subunit alpha is a pivotal component of a serine/threonine-protein kinase complex, involved in phosphorylating substrates with acidic residues near serine or threonine. This protein plays a crucial role in cell cycle progression, apoptosis, transcription, and viral infection. It acts as a regulatory node, integrating signals for appropriate cellular responses, including functioning in the p53/TP53-dependent spindle assembly checkpoint and UV-induced p53/TP53-mediated apoptosis.
Therapeutic significance:
Understanding the role of Casein kinase II subunit alpha could open doors to potential therapeutic strategies.