AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for ICOS ligand

Available from Reaxense
Predicted by Alphafold

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 utilise our cutting-edge, exclusive workflow to develop 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

O75144

UPID:

ICOSL_HUMAN

Alternative names:

B7 homolog 2; B7-like protein Gl50; B7-related protein 1

Alternative UPACC:

O75144; A8MUZ1; Q9HD18; Q9NRQ1

Background:

The ICOS ligand, known by alternative names such as B7 homolog 2, B7-like protein Gl50, and B7-related protein 1, plays a pivotal role in immune response regulation. It serves as a ligand for the T-cell-specific cell surface receptor ICOS, facilitating costimulatory signals for T-cell proliferation and cytokine secretion. Additionally, it promotes B-cell proliferation and differentiation into plasma cells, highlighting its significance in both local tissue responses to inflammation and the modulation of secondary immune responses by co-stimulating memory T-cell function.

Therapeutic significance:

Understanding the role of ICOS ligand could open doors to potential therapeutic strategies, particularly in enhancing immune responses and developing treatments for conditions involving immune system dysregulation.

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