AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for C-C motif chemokine 20

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.

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 our associate Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct targeted 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

P78556

UPID:

CCL20_HUMAN

Alternative names:

Beta-chemokine exodus-1; CC chemokine LARC; Liver and activation-regulated chemokine; Macrophage inflammatory protein 3 alpha; Small-inducible cytokine A20

Alternative UPACC:

P78556; Q53S51; Q99664

Background:

C-C motif chemokine 20, known by various names such as Beta-chemokine exodus-1 and Liver and activation-regulated chemokine, plays a pivotal role in immune responses. It acts as a ligand for CCR6, inducing chemotaxis of dendritic cells, T-cells, and B-cells, crucial for immune surveillance and response. Its ability to mobilize calcium ions and regulate sperm motility underscores its diverse biological functions.

Therapeutic significance:

Given its central role in mediating immune cell migration and involvement in inflammatory conditions, C-C motif chemokine 20 is a prime candidate for therapeutic intervention in autoimmune diseases and cancer. Understanding the role of C-C motif chemokine 20 could open doors to potential therapeutic strategies.

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