AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cytosolic 5'-nucleotidase 3A

Available from Reaxense
Predicted by Alphafold

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 employ our advanced, specialised process to create targeted 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:

  • 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

Q9H0P0

UPID:

5NT3A_HUMAN

Alternative names:

7-methylguanosine phosphate-specific 5'-nucleotidase; Cytosolic 5'-nucleotidase 3; Cytosolic 5'-nucleotidase III; Pyrimidine 5'-nucleotidase 1; Uridine 5'-monophosphate hydrolase 1; p36

Alternative UPACC:

Q9H0P0; A8K253; B2RAA5; B8ZZC4; Q6IPZ1; Q6NXS6; Q7L3G6; Q9P0P5; Q9UC42; Q9UC43; Q9UC44; Q9UC45

Background:

Cytosolic 5'-nucleotidase 3A, also known as Pyrimidine 5'-nucleotidase 1 or Uridine 5'-monophosphate hydrolase 1, plays a pivotal role in nucleotide metabolism. It specifically acts on cytidine monophosphate (CMP) and 7-methylguanosine monophosphate (m(7)GMP), with a preference for CMP. This enzyme's activity is crucial for the proper functioning of cellular processes.

Therapeutic significance:

P5N deficiency, a condition linked to mutations in the gene encoding Cytosolic 5'-nucleotidase 3A, results in hemolytic anemia and potential learning difficulties. Understanding the role of Cytosolic 5'-nucleotidase 3A could open doors to potential therapeutic strategies for treating P5N deficiency and mitigating the effects of lead poisoning.

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