Focused On-demand Library for Glutamine synthetase

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P15104

UPID:

GLNA_HUMAN

Alternative names:

Glutamate--ammonia ligase; Palmitoyltransferase GLUL

Alternative UPACC:

P15104; Q499Y9; Q5T9Z1; Q7Z3W4; Q8IZ17

Background:

Glutamine synthetase, known as Glutamate--ammonia ligase or Palmitoyltransferase GLUL, plays a pivotal role in nitrogen metabolism by catalyzing the ATP-dependent conversion of glutamate and ammonia to glutamine. This enzyme's activity is crucial in various tissues, including the brain, where it detoxifies ammonia and converts glutamate to glutamine, and the liver, where it aids in ammonia removal. Beyond its enzymatic functions, it is involved in endothelial cell migration, ribosomal 40S subunit biogenesis, and may act as a palmitoyltransferase for RHOJ.

Therapeutic significance:

Glutamine synthetase's dysfunction is linked to Congenital systemic glutamine deficiency, a rare disorder causing severe brain malformation, multi-organ failure, and neonatal death. Understanding the role of Glutamine synthetase could open doors to potential therapeutic strategies for this and related conditions.