Focused On-demand Library for Neuropilin-2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

O60462

UPID:

NRP2_HUMAN

Alternative names:

Vascular endothelial cell growth factor 165 receptor 2

Alternative UPACC:

O60462; A0A024R3W6; A0A024R412; E9PF66; O14820; O14821; Q53TQ4; Q53TS3; Q7LBX6; Q7LBX7; Q9H2D4; Q9H2D5; Q9H2E2; Q9H2E3; Q9H2E4; X5D2Q8

Background:

Neuropilin-2, also known as Vascular endothelial cell growth factor 165 receptor 2, is a high-affinity receptor for semaphorins 3C, 3F, VEGF-165, VEGF-145 isoforms of VEGF, and the PLGF-2 isoform of PGF. It plays a crucial role in angiogenesis and vascular development. Additionally, it acts as a receptor for human cytomegalovirus pentamer-dependent entry in epithelial and endothelial cells.

Therapeutic significance:

Understanding the role of Neuropilin-2 could open doors to potential therapeutic strategies. Its involvement in angiogenesis and vascular development, as well as its role in viral entry, makes it a promising target for drug discovery in cancer therapy and antiviral treatments.