Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 employ our advanced, specialised process to create targeted 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
A8MXV4
UPID:
NUD19_HUMAN
Alternative names:
Nucleoside diphosphate-linked moiety X motif 19
Alternative UPACC:
A8MXV4
Background:
Acyl-coenzyme A diphosphatase NUDT19, alternatively known as Nucleoside diphosphate-linked moiety X motif 19, plays a crucial role in lipid metabolism. It specifically hydrolyzes fatty acyl-CoA, converting it into acyl-4'-phosphopantetheine and adenosine 3',5'-bisphosphate. This enzyme exhibits a preference for medium-chain acyl-CoA esters and shows higher activity with unsaturated over saturated esters. Additionally, NUDT19 has been identified to possess decapping activity towards dpCoA-capped RNAs in vitro.
Therapeutic significance:
Understanding the role of Acyl-coenzyme A diphosphatase NUDT19 could open doors to potential therapeutic strategies.