Focused On-demand Library for CD81 antigen

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.

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

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

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.