Focused On-demand Library for Presequence protease, mitochondrial

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

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.