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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Reaxense

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:

C-C motif chemokine 14, known by alternative names such as Chemokine CC-1/CC-3, HCC-1(1-74), NCC-2, and Small-inducible cytokine A14, plays a pivotal role in immune responses. It exhibits weak activities on human monocytes and acts through receptors recognizing MIP-1 alpha, inducing intracellular Ca(2+) changes and enzyme release without chemotaxis at 100-1,000 nM concentrations. It is inactive on T-lymphocytes, neutrophils, and eosinophil leukocytes but enhances CD34 myeloid progenitor cell proliferation. The processed form, HCC-1(9-74), acts as a chemotactic factor for monocytes, eosinophils, and T-cells, binding to CCR1, CCR3, and CCR5.

Therapeutic significance:

Understanding the role of C-C motif chemokine 14 could open doors to potential therapeutic strategies.