AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Growth/differentiation factor 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q9UK05

UPID:

GDF2_HUMAN

Alternative names:

Bone morphogenetic protein 9

Alternative UPACC:

Q9UK05; Q5VSQ9; Q9Y571

Background:

Growth/differentiation factor 2, also known as Bone morphogenetic protein 9, is a potent circulating inhibitor of angiogenesis. It uniquely signals through the type I activin receptor ACVRL1, engaging with the TGF-beta coreceptor endoglin/ENG to influence endothelial cells via SMAD1 signaling. This protein plays a critical role in vascular development and homeostasis.

Therapeutic significance:

Linked to Telangiectasia, hereditary hemorrhagic, 5, a vascular dysplasia causing blood vessel dilation and arteriovenous malformations, Growth/differentiation factor 2's involvement in angiogenesis inhibition positions it as a key target for therapeutic intervention in vascular and angiogenesis-related diseases.

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