Focused On-demand Library for C-C motif chemokine 14

Details

Focused On-demand Libraries - Receptor.AI 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.


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


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


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
Receptor.AI
 
UPACC
Q16627

UPID:
CCL14_HUMAN

ALTERNATIVE NAMES:
Chemokine CC-1/CC-3; HCC-1(1-74); NCC-2; Small-inducible cytokine A14

ALTERNATIVE UPACC:
Q16627; E1P649; E1P650; Q13954

BACKGROUND:
The C-C motif chemokine 14, with aliases such as Chemokine CC-1/CC-3 and HCC-1(1-74), is integral to modulating immune cell behavior. It weakly activates human monocytes through receptors shared with MIP-1 alpha, triggering intracellular calcium shifts and enzyme release, albeit without inducing chemotaxis, in the 100-1,000 nM range. It does not affect T-lymphocytes, neutrophils, or eosinophil leukocytes. However, it significantly promotes the proliferation of CD34 myeloid progenitor cells. Its variant, HCC-1(9-74), serves as a chemotactic agent for monocytes, eosinophils, and T-cells, interacting with receptors CCR1, CCR3, and CCR5.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of C-C motif chemokine 14 unveils potential avenues for therapeutic intervention.

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