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.
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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We use our state-of-the-art dedicated workflow for designing 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 stands out due to several important features:
partner
Reaxense
upacc
Q5VV42
UPID:
CDKAL_HUMAN
Alternative names:
CDK5 regulatory subunit-associated protein 1-like 1; tRNA-t(6)A37 methylthiotransferase
Alternative UPACC:
Q5VV42; A8K6S0; Q6P385; Q6ZR27; Q9NXB3
Background:
Threonylcarbamoyladenosine tRNA methylthiotransferase, also known as CDK5 regulatory subunit-associated protein 1-like 1, plays a crucial role in protein synthesis. It catalyzes the methylthiolation of N6-threonylcarbamoyladenosine, leading to the formation of 2-methylthio-N6-threonylcarbamoyladenosine at position 37 in tRNAs that read codons beginning with adenine.
Therapeutic significance:
Given its involvement in Type 2 diabetes mellitus, a condition characterized by insulin resistance and metabolic syndrome, understanding the role of Threonylcarbamoyladenosine tRNA methylthiotransferase could open doors to potential therapeutic strategies.