Focused On-demand Library for Interleukin-8

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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 utilise our cutting-edge, exclusive workflow to develop 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.

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

P10145

UPID:

IL8_HUMAN

Alternative names:

C-X-C motif chemokine 8; Chemokine (C-X-C motif) ligand 8; Emoctakin; Granulocyte chemotactic protein 1; Monocyte-derived neutrophil chemotactic factor; Monocyte-derived neutrophil-activating peptide; Neutrophil-activating protein 1; Protein 3-10C; T-cell chemotactic factor

Alternative UPACC:

P10145; B2R4L8; Q6FGF6; Q6LAE6; Q96RG6; Q9C077; Q9UCE1; Q9UCR8; Q9UCR9; Q9UCS0

Background:

Interleukin-8, also known as C-X-C motif chemokine 8, plays a pivotal role in the inflammatory response by attracting and activating neutrophils, basophils, and T-cells. It binds to CXCR1 and CXCR2 receptors, triggering G-protein signaling and activating PI3K and MAPK pathways, crucial for neutrophil activation and pathogen clearance.

Therapeutic significance:

Understanding the role of Interleukin-8 could open doors to potential therapeutic strategies, especially in modulating the immune response and treating inflammatory conditions.