AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for CX3C chemokine receptor 1

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 for receptors.

 Fig. 1. The sreening workflow of Receptor.AI

This process includes extensive molecular simulations of the receptor in its native membrane environment, along with ensemble virtual screening that accounts for its conformational mobility. In the case of dimeric or oligomeric receptors, the entire functional complex is modelled, identifying potential binding pockets on and between the subunits to encompass all possible mechanisms of action.

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

P49238

UPID:

CX3C1_HUMAN

Alternative names:

Beta chemokine receptor-like 1; Fractalkine receptor; G-protein coupled receptor 13; V28

Alternative UPACC:

P49238; A0N0N6; B2R5Z4; J3KP17

Background:

CX3C chemokine receptor 1, known as CX3CR1, plays a pivotal role in immune response, inflammation, and cell adhesion. It acts as a receptor for the chemokine fractalkine, mediating leukocyte migration and exerting functions in tissue compartments. Its involvement in the recruitment of natural killer cells, regulation of inflammation in atherogenesis, and role in airway inflammation highlight its significance in immune modulation. Additionally, CX3CR1 is crucial in brain development, synaptic pruning, and gut microbiota regulation.

Therapeutic significance:

CX3CR1's association with age-related macular degeneration underscores its therapeutic potential. Understanding the role of CX3C chemokine receptor 1 could open doors to potential therapeutic strategies, particularly in treating irreversible vision loss and managing immune-related disorders.

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