Focused On-demand Library for C-C motif chemokine 5

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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P13501

UPID:
CCL5_HUMAN

ALTERNATIVE NAMES:
EoCP; Eosinophil chemotactic cytokine; SIS-delta; Small-inducible cytokine A5; T cell-specific protein P228; T-cell-specific protein RANTES

ALTERNATIVE UPACC:
P13501; O43646; Q0QVW8; Q4ZGJ1; Q9NYA2; Q9UBG2; Q9UC99

BACKGROUND:
C-C motif chemokine 5, also referred to as Small-inducible cytokine A5 or T-cell-specific protein RANTES, is crucial for immune regulation and inflammation. It facilitates histamine release from basophils, activates eosinophils, and may serve as an agonist for GPR75, influencing neuron survival. Its processed forms exhibit varying degrees of chemotactic and HIV-suppressive activities.

THERAPEUTIC SIGNIFICANCE:
The exploration of C-C motif chemokine 5's functions and its interactions with chemokine receptors and GPR75 highlights its potential in developing novel therapeutic approaches. Its significant role in suppressing HIV and promoting neuron survival underscores its therapeutic relevance.

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