Focused On-demand Library for 7-methylguanosine phosphate-specific 5'-nucleotidase

Focused On-demand Libraries - Reaxense Collaboration

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.

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 use our state-of-the-art dedicated workflow for designing 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q969T7

UPID:

5NT3B_HUMAN

Alternative names:

Cytosolic 5'-nucleotidase 3B; Cytosolic 5'-nucleotidase III-like protein; N(7)-methylguanylate 5'-phosphatase

Alternative UPACC:

Q969T7; A8MWB9; C9JKC4; Q7L3B7

Background:

The 7-methylguanosine phosphate-specific 5'-nucleotidase, known alternatively as Cytosolic 5'-nucleotidase 3B, Cytosolic 5'-nucleotidase III-like protein, and N(7)-methylguanylate 5'-phosphatase, plays a crucial role in cellular metabolism. It specifically hydrolyzes 7-methylguanosine monophosphate (m(7)GMP) to 7-methylguanosine and inorganic phosphate, safeguarding against the undesired salvage and incorporation of m(7)GMP into nucleic acids. This enzyme also exhibits weak activity towards CMP, with UMP and purine nucleotides being poor substrates.

Therapeutic significance:

Understanding the role of 7-methylguanosine phosphate-specific 5'-nucleotidase could open doors to potential therapeutic strategies, offering insights into novel approaches for targeting metabolic pathways in disease contexts.