Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
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:
The protein BAFF, also recognized as B-cell-activating factor, is integral to the immune system's regulation, specifically in B- and T-cell function. It not only promotes the survival of mature B-cells but also plays a role in transcription regulation for immune response genes. The presence of its isoform, Delta4BAFF, is crucial for B-cell survival, indicating its complex regulatory mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of BAFF reveals its critical role in immune system modulation and apoptosis regulation. Given its significant impact on B-cell diseases, targeting BAFF could lead to innovative treatments for autoimmune disorders and enhance our understanding of humoral immunity.

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