Focused On-demand Library for Protein cereblon

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our top-notch dedicated system is used to design specialised libraries for protein-protein interfaces.

Fig. 1. The sreening workflow of Receptor.AI

It features thorough molecular simulations of the target protein, both isolated and in complex with key partner proteins, complemented by ensemble virtual screening that accounts for conformational mobility in the unbound and complex states. The tentative binding sites are explored on the protein-protein interaction interface and at remote allosteric locations, encompassing the entire spectrum of potential mechanisms 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

Reaxense

upacc

Q96SW2

UPID:

CRBN_HUMAN

Alternative names:

Alternative UPACC:

Q96SW2; B2R6H4; C9IZA9; C9JAH6; Q6AI62; Q6NVZ0; Q9UHW4

Background:

Protein cereblon functions as a substrate recognition component of a DCX E3 protein ligase complex, crucial for the ubiquitination and proteasomal degradation of target proteins. It plays a pivotal role in limb outgrowth, cognitive functions, and TLR4 signaling by regulating various cellular mechanisms, including presynaptic glutamate release and anxiety-like behaviors.

Therapeutic significance:

Linked to Intellectual developmental disorder, autosomal recessive 2, cereblon's involvement in mild intellectual disability highlights its potential as a target for therapeutic intervention. Understanding cereblon's role could open doors to novel strategies for treating cognitive impairments.