Focused On-demand Library for Xaa-Pro aminopeptidase 3

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

Q9NQH7

UPID:

XPP3_HUMAN

Alternative names:

Aminopeptidase P3

Alternative UPACC:

Q9NQH7; B2R9G1; B7Z790; B7Z7B2; Q6I9V9; Q8NDA6; Q9BV27; Q9BVH0

Background:

Xaa-Pro aminopeptidase 3, also known as Aminopeptidase P3, plays a crucial role in protein processing by catalyzing the removal of prolyl residues from peptides. It exhibits specificity for peptides like Leu-Pro-Ala and has activity towards those with Ala or Ser. Additionally, it functions as an adapter protein for TNFRSF1B, promoting phosphorylation of MAPK8/JNK1 and MAPK9/JNK2, and may inhibit TNF-TNFRSF1B induced apoptotic cell death.

Therapeutic significance:

The protein is implicated in Nephronophthisis-like nephropathy 1, a disorder characterized by cystic kidney disease, end-stage renal failure, and extrarenal symptoms such as hypertension and sensorineural hearing loss. Understanding the role of Xaa-Pro aminopeptidase 3 could open doors to potential therapeutic strategies for this condition.