AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for CD81 antigen

Available from Reaxense
Predicted by Alphafold

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

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:

CD81 antigen, also known as Tetraspanin-28, plays a pivotal role in cellular processes, including signal transduction, cell adhesion, and the immune response. It is a structural component of tetraspanin-enriched microdomains, essential for the trafficking of the CD19 receptor on activated B cells and facilitating T cell interactions. CD81's involvement in microbial infections, such as acting as a receptor for hepatitis C virus and supporting early replication of HIV-1, highlights its significance in pathogen-host interactions.

Therapeutic significance:

Given its crucial role in B-cell differentiation and antibody production, CD81 is directly linked to Immunodeficiency, common variable, 6, characterized by recurrent bacterial infections and impaired immunoglobulin secretion. Targeting CD81 could offer novel therapeutic avenues for treating this primary immunodeficiency and potentially other related disorders.

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