AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 2',3'-cyclic-nucleotide 3'-phosphodiesterase

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P09543

UPID:

CN37_HUMAN

Alternative names:

-

Alternative UPACC:

P09543

Background:

2',3'-cyclic-nucleotide 3'-phosphodiesterase, a pivotal enzyme in central nervous system myelin, plays a crucial role in RNA metabolism within myelinating cells. Its activity catalyzes the transformation of 2',3'-cyclic substrates into 2'-nucleotide products, underscoring its significance in cellular processes.

Therapeutic significance:

The enzyme's dysfunction is linked to Leukodystrophy, hypomyelinating, 20, a severe neurological disorder marked by neuroregression and loss of motor and cognitive skills. Understanding the role of 2',3'-cyclic-nucleotide 3'-phosphodiesterase could unveil new therapeutic strategies for this debilitating condition.

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