Focused On-demand Library for Presequence protease, mitochondrial

Focused On-demand Libraries - Reaxense 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.

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.

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 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

Q5JRX3

UPID:

PREP_HUMAN

Alternative names:

Pitrilysin metalloproteinase 1

Alternative UPACC:

Q5JRX3; B3KMJ6; B4E0J8; C9JSL2; E7ES23; O95204; Q2M2G6; Q4VBR1; Q5JRW7; Q7L5Z7; Q9BSI6; Q9BVJ5; Q9UPP8

Background:

Presequence protease, mitochondrial, also known as Pitrilysin metalloproteinase 1, is a crucial enzyme in the mitochondrial matrix. It specializes in peptide cleavage and degradation, targeting peptides ranging from 5 to 65 residues. This protease exhibits a preference for cleaving after small polar residues and before basic residues. It plays a pivotal role in degrading the transit peptides of mitochondrial proteins and other unstructured peptides, including the amyloid-beta protein 40, a key player in neurodegenerative diseases.

Therapeutic significance:

Given its ability to degrade amyloid-beta protein 40, Presequence protease, mitochondrial, holds promise in the treatment of neurodegenerative diseases such as Alzheimer's. Understanding the role of this protein could open doors to potential therapeutic strategies, especially in conditions where amyloid-beta accumulation is a hallmark.