AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 2'-deoxynucleoside 5'-phosphate N-hydrolase 1

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.

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.

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 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

O43598

UPID:

DNPH1_HUMAN

Alternative names:

c-Myc-responsive protein RCL

Alternative UPACC:

O43598; B2LUJ9

Background:

2'-deoxynucleoside 5'-phosphate N-hydrolase 1, also known as c-Myc-responsive protein RCL, plays a crucial role in nucleotide metabolism by catalyzing the cleavage of the N-glycosidic bond of deoxyribonucleoside 5'-monophosphates. This process yields deoxyribose 5-phosphate and a base, with a preference for purine bases over pyrimidine bases.

Therapeutic significance:

Understanding the role of 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 could open doors to potential therapeutic strategies.

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