Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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
Receptor.AI
 
UPACC
O95715

UPID:
CXL14_HUMAN

ALTERNATIVE NAMES:
Chemokine BRAK; MIP-2G; Small-inducible cytokine B14

ALTERNATIVE UPACC:
O95715; B3KQU8; Q6UW97; Q86U69; Q9BTR1; Q9NS21

BACKGROUND:
The protein C-X-C motif chemokine 14, with alternative names Chemokine BRAK, MIP-2G, and Small-inducible cytokine B14, is identified as a selective chemoattractant. It specifically attracts neutrophils and, to a lesser degree, dendritic cells, while showing no chemotactic activity towards T-cells, B-cells, monocytes, natural killer cells, or granulocytes. Its role in myeloid progenitor proliferation is notably absent.

THERAPEUTIC SIGNIFICANCE:
The exploration of C-X-C motif chemokine 14's function offers a promising avenue for therapeutic intervention. Its unique chemotactic properties underscore its potential utility in devising new treatments for immune-mediated diseases, emphasizing the importance of targeted research in this area.

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