Focused On-demand Library for U8 snoRNA-decapping enzyme

Focused On-demand Libraries - Reaxense Collaboration

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.