AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for C-X-C chemokine receptor type 1

Available from Reaxense
Predicted by Alphafold

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.

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

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.

Our top-notch dedicated system is used to design specialised libraries for receptors.

 Fig. 1. The sreening 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 distinguishes itself through several key aspects:

  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P25024

UPID:

CXCR1_HUMAN

Alternative names:

CDw128a; High affinity interleukin-8 receptor A; IL-8 receptor type 1

Alternative UPACC:

P25024; B2R6Q3; Q2YEF8; Q2YEG4; Q2YEG5; Q2YEG7; Q2YEG8; Q53R18; Q6IN95; Q8N6T6; Q9P2T8; Q9P2T9; Q9P2U0; Q9P2U1; Q9P2U2

Background:

C-X-C chemokine receptor type 1, also known as CDw128a, High affinity interleukin-8 receptor A, and IL-8 receptor type 1, plays a pivotal role in immune responses. It acts as a receptor to interleukin-8 (IL-8), a potent neutrophil chemotactic factor, triggering neutrophil activation. This process is facilitated through a G-protein that activates a phosphatidylinositol-calcium second messenger system, highlighting its critical function in mediating inflammatory responses.

Therapeutic significance:

Understanding the role of C-X-C chemokine receptor type 1 could open doors to potential therapeutic strategies. Its central role in neutrophil activation and inflammatory responses positions it as a key target for developing treatments aimed at modulating immune responses, offering promising avenues for therapeutic intervention in inflammatory diseases.

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