Focused On-demand Library for N-fatty-acyl-amino acid synthase/hydrolase PM20D1

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q6GTS8

UPID:

P20D1_HUMAN

Alternative names:

Peptidase M20 domain-containing protein 1

Alternative UPACC:

Q6GTS8; Q6P4E3; Q96DM4

Background:

N-fatty-acyl-amino acid synthase/hydrolase PM20D1, also known as Peptidase M20 domain-containing protein 1, plays a pivotal role in metabolic processes. It regulates the levels of N-fatty acyl amino acids (NAAs) by acting as a bidirectional NAA synthase/hydrolase. This enzyme not only synthesizes NAAs from free fatty acids and amino acids but also catalyzes the reverse hydrolysis reaction, impacting oxidative metabolism and energy expenditure in the body.

Therapeutic significance:

Understanding the role of N-fatty-acyl-amino acid synthase/hydrolase PM20D1 could open doors to potential therapeutic strategies. Its involvement in metabolic regulation and energy expenditure highlights its potential as a target for addressing metabolic disorders and enhancing whole-body energy utilization.