Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 Reaxense.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening 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 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
Receptor.AI
 
UPACC
Q96C10

UPID:
DHX58_HUMAN

ALTERNATIVE NAMES:
ATP-dependent helicase LGP2; Protein D11Lgp2 homolog; RIG-I-like receptor 3; RIG-I-like receptor LGP2

ALTERNATIVE UPACC:
Q96C10; Q9HAM6

BACKGROUND:
The protein ATP-dependent RNA helicase DHX58, with alternative names such as LGP2, is a crucial regulator of the innate immune system's response to viral and bacterial infections. It modulates the signaling pathways of RIGI and IFIH1/MDA5, essential for recognizing and responding to pathogens like RNA viruses, DNA viruses, and Listeria monocytogenes. DHX58's ability to bind RNA and its variable regulatory functions make it a key player in antiviral defense mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of ATP-dependent RNA helicase DHX58 holds promise for developing new therapeutic approaches.

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