Focused On-demand Library for C-X-C motif chemokine 11

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.

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

O14625

UPID:

CXL11_HUMAN

Alternative names:

Beta-R1; H174; Interferon gamma-inducible protein 9; Interferon-inducible T-cell alpha chemoattractant; Small-inducible cytokine B11

Alternative UPACC:

O14625; Q53YA3; Q92840

Background:

C-X-C motif chemokine 11, known by alternative names such as Beta-R1, H174, and Interferon gamma-inducible protein 9, plays a pivotal role in immune responses. It is chemotactic for interleukin-activated T-cells, induces calcium release in activated T-cells, and binds to CXCR3, highlighting its significance in immune regulation.

Therapeutic significance:

Understanding the role of C-X-C motif chemokine 11 could open doors to potential therapeutic strategies. Its involvement in T-cell recruitment suggests its potential in targeting CNS diseases and skin immune responses, offering a promising avenue for therapeutic intervention.