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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

This includes comprehensive molecular simulations of the receptor in its native membrane environment, paired with ensemble virtual screening that factors in its conformational mobility. In cases involving dimeric or oligomeric receptors, the entire functional complex is modelled, pinpointing potential binding pockets on and between the subunits to capture the full range of mechanisms 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

Q9Y275

UPID:

TN13B_HUMAN

Alternative names:

B lymphocyte stimulator; B-cell-activating factor; BAFF; Dendritic cell-derived TNF-like molecule; TNF- and APOL-related leukocyte expressed ligand 1

Alternative UPACC:

Q9Y275; E0ADT7; Q6FHD6; Q7Z5J2

Background:

Tumor necrosis factor ligand superfamily member 13B, known as BAFF, plays a pivotal role in B-cell maturation, survival, and immune response. It binds to receptors TNFRSF13B/TACI and TNFRSF17/BCMA, facilitating a pathway crucial for humoral immunity. BAFF's alternative forms, including B lymphocyte stimulator and dendritic cell-derived TNF-like molecule, underscore its versatility in immune regulation.

Therapeutic significance:

Understanding the role of Tumor necrosis factor ligand superfamily member 13B could open doors to potential therapeutic strategies. Its involvement in the regulation of B-cell function and survival, as well as its role in autoimmune and proliferative B-cell diseases, highlights its potential as a target for therapeutic intervention.