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.


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.


Our top-notch dedicated system is used to design specialised 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 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
Receptor.AI
 
UPACC
P29460

UPID:
IL12B_HUMAN

ALTERNATIVE NAMES:
Cytotoxic lymphocyte maturation factor 40 kDa subunit; IL-12 subunit p40; NK cell stimulatory factor chain 2

ALTERNATIVE UPACC:
P29460

BACKGROUND:
The Interleukin-12 subunit beta, with alternative names such as Cytotoxic lymphocyte maturation factor 40 kDa subunit and NK cell stimulatory factor chain 2, is integral to immune system functioning. It facilitates the production of IFN-gamma by PBMC and forms IL-23 with IL23A, a cytokine essential for initiating immune responses to infections and in the development of autoimmune diseases.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Immunodeficiency 29, characterized by undetectable IL12B secretion, and Psoriasis 11, associated with abnormal keratinocyte proliferation, Interleukin-12 subunit beta represents a promising target for therapeutic intervention. Its manipulation could offer new avenues for treating these immune-related diseases.

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