Focused On-demand Library for Caspase recruitment domain-containing protein 14

Details

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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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
Q9BXL6

UPID:
CAR14_HUMAN

ALTERNATIVE NAMES:
CARD-containing MAGUK protein 2

ALTERNATIVE UPACC:
Q9BXL6; B8QQJ3; Q9BVB5

BACKGROUND:
Caspase recruitment domain-containing protein 14, with its alternative name CARD-containing MAGUK protein 2, is integral to immune response regulation. It forms a signaling complex essential for the activation of MALT1 proteolytic activity and NF-kappa-B, playing a role in cell apoptosis protection.

THERAPEUTIC SIGNIFICANCE:
Given its critical function in diseases like Psoriasis 2 and Pityriasis rubra pilaris, Caspase recruitment domain-containing protein 14 represents a promising target for drug discovery. Its manipulation could lead to breakthrough therapies for these chronic skin diseases, offering hope for patients seeking relief.

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