Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q96DE0
UPID:
NUD16_HUMAN
Alternative names:
IDP phosphatase; Inosine diphosphate phosphatase; Nucleoside diphosphate-linked moiety X motif 16; Nudix hydrolase 16; U8 snoRNA-binding protein H29K; m7GpppN-mRNA hydrolase
Alternative UPACC:
Q96DE0; B4E3B4; E9PED4; F5GYJ1; Q96N82
Background:
The U8 snoRNA-decapping enzyme, also known as Nudix hydrolase 16, plays a crucial role in RNA metabolism. It catalyzes the cleavage of cap structures of snoRNAs and mRNAs, essential for the maturation of rRNA and mRNA degradation. This enzyme exhibits specificity for various RNA species, acting in a metal-dependent manner, and binds to U8 snoRNA without requiring metal for RNA-binding. Its activity extends to hydrolyzing non-canonical purine nucleotides, thus maintaining nucleotide pool integrity and preventing chromosomal lesions.
Therapeutic significance:
Understanding the role of U8 snoRNA-decapping enzyme could open doors to potential therapeutic strategies.