Focused On-demand Library for T-lymphocyte activation antigen CD80

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 employ our advanced, specialised process to create targeted libraries for receptors.

Fig. 1. The sreening workflow of Receptor.AI

The method involves detailed molecular simulations of the receptor in its native membrane environment, with ensemble virtual screening focusing on its conformational mobility. When dealing with dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets on and between the subunits are established to address all possible 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

Reaxense

upacc

P33681

UPID:

CD80_HUMAN

Alternative names:

Activation B7-1 antigen; BB1; CTLA-4 counter-receptor B7.1

Alternative UPACC:

P33681; Q5DTA9; Q5DTB0

Background:

The T-lymphocyte activation antigen CD80, also known as Activation B7-1 antigen, BB1, and CTLA-4 counter-receptor B7.1, plays a pivotal role in immune response regulation. It is crucial for T-lymphocyte activation, facilitating T-cell proliferation and cytokine production upon binding with CD28. Conversely, its interaction with CTLA-4 inhibits T-cell activation. Additionally, CD80 serves as a receptor for adenovirus subgroup B, highlighting its role in microbial infection defense.

Therapeutic significance:

Understanding the role of T-lymphocyte activation antigen CD80 could open doors to potential therapeutic strategies. Its dual function in both stimulating and inhibiting T-cell activation positions it as a key target for modulating immune responses, offering pathways for the development of treatments for autoimmune diseases and in enhancing vaccine efficacy.