Focused On-demand Library for Protein cereblon

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 protein-protein interfaces.


 

Fig. 1. The screening workflow of Receptor.AI

The approach involves in-depth molecular simulations of the target protein by itself and in complex with its primary partner proteins, paired with ensemble virtual screening that factors in conformational mobility in both the unbound and complex states. The tentative binding pockets are identified at the protein-protein interaction interface and in distant allosteric areas, aiming to capture the full range of mechanisms of action.


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
Q96SW2

UPID:
CRBN_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q96SW2; B2R6H4; C9IZA9; C9JAH6; Q6AI62; Q6NVZ0; Q9UHW4

BACKGROUND:
Cereblon is integral to the normal degradation of key regulatory proteins, impacting limb development, memory, learning, and immune response. Its interaction with proteins like MEIS2, ILF2, and KCNT1 underscores its significance in maintaining neuronal and immune system balance.

THERAPEUTIC SIGNIFICANCE:
Given its association with Intellectual developmental disorder, autosomal recessive 2, cereblon presents a promising avenue for research into intellectual disability therapies. Exploring cereblon's functions offers a pathway to innovative treatments for developmental and cognitive disorders.

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