Focused On-demand Library for C-C chemokine receptor type 6

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

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

P51684

UPID:

CCR6_HUMAN

Alternative names:

Chemokine receptor-like 3; DRY6; G-protein coupled receptor 29; GPR-CY4; LARC receptor

Alternative UPACC:

P51684; E1P5C6; P78553; Q92846

Background:

C-C chemokine receptor type 6 (CCR6) functions as a receptor for CCL20 and beta-defensins, playing a pivotal role in immune response regulation. It mediates chemotaxis of dendritic cells, T-cells, and B-cells, crucial for inflammatory responses and immune surveillance at mucosal surfaces. CCR6's involvement in Th17 and Treg cell recruitment underscores its importance in maintaining immune balance and tissue integrity.

Therapeutic significance:

Understanding the role of C-C chemokine receptor type 6 could open doors to potential therapeutic strategies. Its central role in immune cell migration and balance makes it a promising target for modulating immune responses in autoimmune diseases, cancer, and infection control.