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 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.