Focused On-demand Library for Aminoacylase-1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q03154

UPID:

ACY1_HUMAN

Alternative names:

N-acyl-L-amino-acid amidohydrolase

Alternative UPACC:

Q03154; C9J6I6; C9J9D8; C9JWD4

Background:

Aminoacylase-1, also known as N-acyl-L-amino-acid amidohydrolase, plays a crucial role in the metabolism of N-acetylated amino acids. It catalyzes the hydrolysis of these compounds into acetate and free amino acids, a process essential for maintaining amino acid balance in the body.

Therapeutic significance:

Aminoacylase-1 deficiency is a condition characterized by encephalopathy, psychomotor delay, and increased urinary excretion of N-acetylated amino acids. Understanding the role of Aminoacylase-1 could open doors to potential therapeutic strategies for this enzymatic deficiency.