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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q7Z624
UPID:
CMKMT_HUMAN
Alternative names:
-
Alternative UPACC:
Q7Z624; Q4ZG15; Q53SS6; Q8N6P5; Q9H5G8
Background:
Calmodulin-lysine N-methyltransferase, encoded by the gene with accession number Q7Z624, plays a crucial role in post-translational modifications by catalyzing the trimethylation of 'Lys-116' in calmodulin. This specific enzymatic activity is pivotal for the regulation of calcium signaling pathways, which are fundamental for cellular processes.
Therapeutic significance:
The protein is implicated in Hypotonia-cystinuria syndrome, a condition marked by generalized hypotonia, nephrolithiasis, and growth hormone deficiency. Understanding the role of Calmodulin-lysine N-methyltransferase could open doors to potential therapeutic strategies for this syndrome and related metabolic disorders.