Focused On-demand Library for Tumor necrosis factor receptor superfamily member 13B

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for protein-protein interfaces.

Fig. 1. The sreening 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

O14836

UPID:

TR13B_HUMAN

Alternative names:

Transmembrane activator and CAML interactor

Alternative UPACC:

O14836; B2R8B0; B7Z6V8; Q32LX4; Q7Z6F5

Background:

The Tumor necrosis factor receptor superfamily member 13B, also known as Transmembrane activator and CAML interactor, plays a pivotal role in immune regulation. It binds TNFSF13/APRIL and TNFSF13B/BAFF with high affinity, activating key signaling pathways such as NF-AT, NF-kappa-B, and AP-1. This receptor is crucial for B- and T-cell function and humoral immunity regulation.

Therapeutic significance:

Mutations in this protein are linked to Immunodeficiency, common variable, 2, and Immunoglobulin A deficiency 2, diseases characterized by recurrent infections and impaired humoral immunity. Understanding its role could lead to novel treatments for these immunodeficiencies.