Focused On-demand Library for Xaa-Pro aminopeptidase 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct 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

O43895

UPID:

XPP2_HUMAN

Alternative names:

Aminoacylproline aminopeptidase; Membrane-bound aminopeptidase P; X-Pro aminopeptidase 2

Alternative UPACC:

O43895; A0AV16; O75994

Background:

Xaa-Pro aminopeptidase 2, also known as Membrane-bound aminopeptidase P and Aminoacylproline aminopeptidase, is a crucial membrane-bound metalloprotease. It specializes in catalyzing the removal of a penultimate prolyl residue from the N-termini of peptides, such as the vasodilator bradykinin, indicating its pivotal role in peptide metabolism.

Therapeutic significance:

The protein's involvement in the metabolism of bradykinin links it to Angioedema induced by ACE inhibitors, a life-threatening condition characterized by severe swelling. This association highlights the protein's potential as a target for therapeutic intervention in managing and preventing drug-induced angioedema.