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 utilise our cutting-edge, exclusive workflow to develop 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
Q96C86
UPID:
DCPS_HUMAN
Alternative names:
DCS-1; Decapping scavenger enzyme; Hint-related 7meGMP-directed hydrolase; Histidine triad nucleotide-binding protein 5; Histidine triad protein member 5; Scavenger mRNA-decapping enzyme DcpS
Alternative UPACC:
Q96C86; Q8NHL8; Q9Y2S5
Background:
The m7GpppX diphosphatase, also known as Decapping scavenger enzyme, plays a crucial role in mRNA decay by hydrolyzing residual cap structures after degradation. This enzyme specifically targets small capped oligoribonucleotides, releasing 5'-phosphorylated RNA fragments and 7-methylguanosine monophosphate (m7GMP), essential for mRNA turnover and cellular mRNA levels regulation.
Therapeutic significance:
Given its involvement in Al-Raqad syndrome, characterized by severe developmental delays and intellectual disability, targeting m7GpppX diphosphatase could offer novel therapeutic avenues. Understanding the enzyme's role in mRNA decay pathways may illuminate strategies to mitigate the syndrome's effects.