Focused On-demand Library for Asparagine synthetase [glutamine-hydrolyzing]

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.

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 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.

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.

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

P08243

UPID:

ASNS_HUMAN

Alternative names:

Cell cycle control protein TS11; Glutamine-dependent asparagine synthetase

Alternative UPACC:

P08243; A4D1I8; B4DXZ1; B7ZAA9; D6W5R3; E9PCI3; E9PCX6; P08184; Q15666; Q549T9; Q96HD0

Background:

Asparagine synthetase [glutamine-hydrolyzing], also known as Cell cycle control protein TS11 and Glutamine-dependent asparagine synthetase, plays a pivotal role in amino acid biosynthesis. This enzyme is essential for the synthesis of asparagine from aspartic acid, utilizing glutamine as an ammonia source.

Therapeutic significance:

Asparagine synthetase deficiency, a severe neurologic disorder characterized by microcephaly, delayed psychomotor development, and progressive encephalopathy, is directly linked to mutations in the asparagine synthetase gene. Understanding the role of Asparagine synthetase could open doors to potential therapeutic strategies for this condition.