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 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
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P48729
UPID:
KC1A_HUMAN
Alternative names:
CK1
Alternative UPACC:
P48729; D3DQG0; D3DQG1; Q4JJA0; Q5U046; Q5U047; Q6FGA2; Q71TU5; Q96HD2; Q9UDK3
Background:
Casein kinase I isoform alpha (CK1), encoded by the gene with accession number P48729, is a pivotal enzyme in cellular processes, preferentially targeting acidic proteins such as caseins. It is known for its broad substrate specificity, phosphorylating numerous proteins and playing a crucial role in Wnt signaling, chromosome segregation during mitosis, and epithelial cell migration through keratin cytoskeleton disassembly. CK1 also regulates the NLRP3 inflammasome assembly, highlighting its importance in inflammatory responses.
Therapeutic significance:
Understanding the role of Casein kinase I isoform alpha could open doors to potential therapeutic strategies. Its involvement in key cellular processes such as Wnt signaling and inflammasome assembly positions CK1 as a promising target for drug discovery, aiming to modulate its activity in diseases where these pathways are dysregulated.