AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical]

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

P50583

UPID:

AP4A_HUMAN

Alternative names:

Diadenosine 5',5'''-P1,P4-tetraphosphate asymmetrical hydrolase; Nucleoside diphosphate-linked moiety X motif 2

Alternative UPACC:

P50583; D3DRM0; Q5T589

Background:

The Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical], also known as Diadenosine 5',5'''-P1,P4-tetraphosphate asymmetrical hydrolase and Nucleoside diphosphate-linked moiety X motif 2, plays a crucial role in cellular processes. It catalyzes the hydrolysis of diadenosine 5',5'''-P1,P4-tetraphosphate (Ap4A) into AMP and ATP, and exhibits decapping activity towards specific RNA caps, highlighting its multifaceted role in biological systems.

Therapeutic significance:

This protein's involvement in Intellectual developmental disorder with or without peripheral neuropathy underscores its therapeutic significance. Understanding its function and the impact of gene variants could lead to novel therapeutic strategies for managing this disorder.

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