Focused On-demand Libraries - Receptor.AI 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 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 high-tech, dedicated method is applied to construct targeted libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible 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
Receptor.AI
 
UPACC
Q96RJ3

UPID:
TR13C_HUMAN

ALTERNATIVE NAMES:
B-cell-activating factor receptor; BAFF receptor; BLyS receptor 3

ALTERNATIVE UPACC:
Q96RJ3

BACKGROUND:
The protein known as Tumor necrosis factor receptor superfamily member 13C, or BAFF receptor, is essential for B-cell maturation and function. It binds to the ligand TNFSF13B/BAFF, facilitating the survival of mature B-cells and promoting a robust B-cell immune response. This receptor's activity is critical for the proper secretion of immunoglobulins by B-cells.

THERAPEUTIC SIGNIFICANCE:
Linked to Immunodeficiency, common variable, 4, a condition marked by hypogammaglobulinemia and recurrent infections, the BAFF receptor's dysfunction highlights its therapeutic potential. Targeting this receptor could lead to innovative treatments for antibody deficiencies and enhance immune response capabilities.

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