AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Leukocyte cell-derived chemotaxin-2

Available from Reaxense
Predicted by Alphafold

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 use our state-of-the-art dedicated workflow for designing focused 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

O14960

UPID:

LECT2_HUMAN

Alternative names:

-

Alternative UPACC:

O14960; B2RA90; O14565; Q52M49

Background:

Leukocyte cell-derived chemotaxin-2, identified by the accession number O14960, plays a pivotal role in immune response mechanisms. This protein is known for its neutrophil chemotactic activity, guiding neutrophils to sites of inflammation. Additionally, it acts as a positive regulator of chondrocyte proliferation, as evidenced by research published in PubMed (9524238). Despite its significant biological functions, it does not exhibit metalloendopeptidase activity (PubMed:27334921).

Therapeutic significance:

Understanding the role of Leukocyte cell-derived chemotaxin-2 could open doors to potential therapeutic strategies. Its involvement in immune response and chondrocyte proliferation highlights its potential as a target for developing treatments for inflammatory diseases and disorders affecting cartilage.

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