AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Neuropilin-1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

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

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

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, also known as the Vascular endothelial cell growth factor 165 receptor, plays a pivotal role in the development of the cardiovascular system, angiogenesis, and organogenesis. It mediates the activity of semaphorins, facilitating cellular internalization and vascular leakage. Neuropilin-1's interaction with various ligands, including semaphorin 3A, PLGF-2, VEGFA, and VEGFB, triggers essential signaling pathways for neuronal circuit formation and motor neuron migration during embryonic development. Additionally, it serves as a host factor for SARS-CoV-2, enhancing viral infection.

Therapeutic significance:

Understanding the role of Neuropilin-1 could open doors to potential therapeutic strategies. Its involvement in angiogenesis and the SARS-CoV-2 infection process highlights its potential as a target for therapeutic intervention in cardiovascular diseases, cancer, and viral infections.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.