AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for R-spondin-1

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.

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.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

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

Q2MKA7

UPID:

RSPO1_HUMAN

Alternative names:

Roof plate-specific spondin-1

Alternative UPACC:

Q2MKA7; A2A420; Q0H8S6; Q14C72; Q5T0F2; Q8N7L5

Background:

R-spondin-1, also known as Roof plate-specific spondin-1, is a pivotal activator of the canonical Wnt signaling pathway. It functions by serving as a ligand for LGR4-6 receptors, facilitating the association with phosphorylated LRP6 and frizzled receptors activated by Wnt, thereby enhancing gene expression. Additionally, it plays a crucial role in ovary determination and regulates both canonical and non-canonical Wnt signaling pathways.

Therapeutic significance:

R-spondin-1's involvement in Keratoderma, palmoplantar, with squamous cell carcinoma of skin and sex reversal, underscores its potential as a target for therapeutic intervention. Understanding the role of R-spondin-1 could open doors to potential therapeutic strategies.

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