Focused On-demand Libraries - Receptor.AI 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. Reaxense aids in their synthesis and provision.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q96S55

UPID:
WRIP1_HUMAN

ALTERNATIVE NAMES:
Werner helicase-interacting protein 1

ALTERNATIVE UPACC:
Q96S55; B2RDB0; Q53EP6; Q59ET8; Q5W0E2; Q5W0E4; Q8WV26; Q9H681; Q9NRJ6

BACKGROUND:
The protein ATPase WRNIP1, alternatively named Werner helicase-interacting protein 1, is instrumental in DNA replication and immune defense against viruses. It modulates DNA polymerase delta activity and stabilizes RIGI dsRNA interactions, facilitating RIGI's signal transmission through mitochondrial MAVS.

THERAPEUTIC SIGNIFICANCE:
Exploring ATPase WRNIP1's function offers promising avenues for developing novel therapeutic approaches aimed at bolstering viral defense mechanisms and DNA repair processes.

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