Focused On-demand Library for Neuropilin-1

Focused On-demand Libraries - Receptor.AI 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. 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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Receptor.AI
 
UPACC
O14786

UPID:
NRP1_HUMAN

ALTERNATIVE NAMES:
Vascular endothelial cell growth factor 165 receptor

ALTERNATIVE UPACC:
O14786; B0LPG9; O60461; Q5T7F1; Q5T7F2; Q5T7F3; Q86T59; Q96I90; Q96IH5

BACKGROUND:
Neuropilin-1, identified for its critical function in cardiovascular development, angiogenesis, and neuronal circuit formation, binds to a variety of ligands, including VEGF165 and semaphorins, to regulate essential biological processes. Its ability to recognize a C-end rule motif on ligands underlines its significance in cellular internalization and vascular integrity. Moreover, Neuropilin-1's role in facilitating SARS-CoV-2 infection by binding to the virus's spike protein underscores its importance in viral pathogenesis.

THERAPEUTIC SIGNIFICANCE:
The multifaceted role of Neuropilin-1 in biological systems makes it an intriguing subject for scientific inquiry and therapeutic development. Targeting Neuropilin-1 could offer novel approaches for treating a range of diseases, from cardiovascular disorders and cancer to infectious diseases like COVID-19.

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