Focused On-demand Library for CX3C chemokine receptor 1

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.


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 Reaxense.


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 use our state-of-the-art dedicated workflow for designing focused libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.


Our library is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

PARTNER
Receptor.AI
 
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:
The CX3C chemokine receptor 1, alternatively named Fractalkine receptor or V28, is a G-protein coupled receptor integral to immune system functioning. It facilitates distinct processes such as chemotaxis, cell survival, and macrophage recruitment to inflamed tissues. Its expression in various tissues allows it to regulate inflammation, angiogenesis, and immune responses against pathogens. Moreover, CX3CR1's role as a coreceptor for HIV-1 virus envelope protein highlights its importance in microbial infection defense mechanisms.

THERAPEUTIC SIGNIFICANCE:
Given CX3CR1's involvement in critical immune responses and its link to age-related macular degeneration, targeting this receptor offers promising avenues for therapeutic intervention. Exploring CX3C chemokine receptor 1's functions could lead to innovative treatments for a range of diseases, from eye disorders to infectious diseases.

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