Focused On-demand Library for Aminopeptidase O

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.

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.

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 employ our advanced, specialised process to create targeted 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

Q8N6M6

UPID:

AMPO_HUMAN

Alternative names:

Alternative UPACC:

Q8N6M6; Q5T9B1; Q5T9B3; Q5T9B4; Q8WUL6; Q96M23; Q96SS1

Background:

Aminopeptidase O, encoded by the gene with accession number Q8N6M6, plays a crucial role in protein metabolism by catalyzing the hydrolysis of amino acid residues from the N-terminus of peptide or protein substrates. This enzymatic activity is essential for the processing and maturation of proteins, impacting various cellular functions.

Therapeutic significance:

The involvement of Aminopeptidase O in Dystonia 31, a progressive disorder characterized by involuntary muscle contractions and postural abnormalities, highlights its potential as a therapeutic target. Understanding the role of Aminopeptidase O could open doors to potential therapeutic strategies for managing and treating this debilitating condition.