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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.


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
P60033

UPID:
CD81_HUMAN

ALTERNATIVE NAMES:
26 kDa cell surface protein TAPA-1; Target of the antiproliferative antibody 1; Tetraspanin-28

ALTERNATIVE UPACC:
P60033; P18582; Q5U0J6

BACKGROUND:
The CD81 antigen, known for its alternative names such as 26 kDa cell surface protein TAPA-1, is integral to immune system functioning and cellular communication. It orchestrates the assembly of critical receptor complexes, influences cell adhesion, motility, and plays a role in antigen presentation. Its regulatory capacity extends to both positive and negative modulation of cell-cell fusion processes, including sperm-egg fusion and myoblast fusion inhibition.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of CD81 could open doors to potential therapeutic strategies. Its involvement in diseases like Immunodeficiency, common variable, 6, underscores the therapeutic potential of modulating CD81 activity. By targeting the pathways regulated by CD81, novel treatments for immunodeficiencies and infections could be developed, offering hope for patients with these challenging conditions.

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