Focused On-demand Library for Atypical chemokine receptor 3

Focused On-demand Libraries - Reaxense 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. 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.

We utilise our cutting-edge, exclusive workflow to develop focused 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.

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

P25106

UPID:

ACKR3_HUMAN

Alternative names:

C-X-C chemokine receptor type 7; Chemokine orphan receptor 1; G-protein coupled receptor 159; G-protein coupled receptor RDC1 homolog

Alternative UPACC:

P25106; A8K6J4; Q53RV4; Q8NE10; Q92938; Q92986

Background:

Atypical chemokine receptor 3 (ACKR3), also known as CXCR7, plays a pivotal role in chemokine regulation, acting through high-affinity binding to chemokines CXCL11 and CXCL12/SDF1. Unlike typical receptors, ACKR3 does not initiate classic G-protein signal cascades but instead sequesters chemokines, leading to their degradation or transcytosis. This unique mechanism influences various cellular responses, including MAPK signaling pathway activation, cell growth, and survival.

Therapeutic significance:

ACKR3's involvement in diseases such as Oculomotor-abducens synkinesis, and its role in glioma cell resistance to apoptosis, highlights its potential as a therapeutic target. Understanding the role of Atypical chemokine receptor 3 could open doors to potential therapeutic strategies, especially in treating neurological disorders and combating glioma cell proliferation.