Focused On-demand Library for C-C motif chemokine 8

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 use our state-of-the-art dedicated workflow for designing focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of 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.







Alternative names:

HC14; Monocyte chemoattractant protein 2; Monocyte chemotactic protein 2; Small-inducible cytokine A8

Alternative UPACC:

P80075; A0AV77; P78388


C-C motif chemokine 8, also known as Monocyte chemoattractant protein 2 (MCP-2), plays a pivotal role in immune responses. It functions as a chemotactic factor, attracting monocytes, lymphocytes, basophils, and eosinophils. Notably, it binds heparin and influences neoplasia and inflammatory responses. The processed form of MCP-2, MCP-2(6-76), lacks monocyte chemotactic activity but inhibits the effects of several other chemokines.

Therapeutic significance:

Understanding the role of C-C motif chemokine 8 could open doors to potential therapeutic strategies. Its ability to modulate immune cell migration and inflammatory responses highlights its significance in developing treatments for inflammatory and possibly neoplastic diseases.

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