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.

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.

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 sreening 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

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.