Focused On-demand Library for Caspase recruitment domain-containing protein 11

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.


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 protein-protein interfaces.


 

Fig. 1. The screening workflow of Receptor.AI

This process entails comprehensive molecular simulations of the target protein, individually and in complex with essential partner proteins, along with ensemble virtual screening that focuses on conformational mobility in both its free and complex states. Potential binding pockets are considered at the protein-protein interaction interface and in remote allosteric locations to address every conceivable mechanism of action.


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
Q9BXL7

UPID:
CAR11_HUMAN

ALTERNATIVE NAMES:
CARD-containing MAGUK protein 1

ALTERNATIVE UPACC:
Q9BXL7; A4D1Z7; Q2NKN7; Q548H3

BACKGROUND:
The Caspase recruitment domain-containing protein 11, also known as CARD11, is integral to the adaptive immune system. It transduces signals from T-cell and B-cell receptors, initiating crucial pathways like NF-kappa-B and MAP kinase. CARD11's ability to form complexes with BCL10 and MALT1 underscores its role in immune cell activation and signaling.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of CARD11 could open doors to potential therapeutic strategies. Its involvement in diseases such as B-cell expansion with NFKB and T-cell anergy, Immunodeficiency 11A, and Immunodeficiency 11B with atopic dermatitis, positions CARD11 as a key target for developing treatments aimed at correcting immune system malfunctions.

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