AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for C-C motif chemokine 15

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

 Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q16663

UPID:

CCL15_HUMAN

Alternative names:

Chemokine CC-2; Leukotactin-1; MIP-1 delta; Macrophage inflammatory protein 5; Mrp-2b; NCC-3; Small-inducible cytokine A15

Alternative UPACC:

Q16663; B2RU34; E1P651; Q9UM74

Background:

C-C motif chemokine 15 (CCL15), also known by alternative names such as Chemokine CC-2, Leukotactin-1, and Macrophage inflammatory protein 5, plays a pivotal role in immune responses. It acts as a chemotactic factor, primarily attracting T-cells and monocytes through its interaction with CC chemokine receptor CCR1 and CCR3. Its variants, including CCL15(22-92), CCL15(25-92), and CCL15(29-92), exhibit enhanced chemoattractant properties.

Therapeutic significance:

Understanding the role of C-C motif chemokine 15 could open doors to potential therapeutic strategies.

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