Focused On-demand Library for Glutamine synthetase

Details

Focused On-demand Libraries - Receptor.AI 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 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.


Our top-notch dedicated system is used to design specialised libraries for enzymes.


 

Fig. 1. The screening 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.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P15104

UPID:
GLNA_HUMAN

ALTERNATIVE NAMES:
Glutamate--ammonia ligase; Palmitoyltransferase GLUL

ALTERNATIVE UPACC:
P15104; Q499Y9; Q5T9Z1; Q7Z3W4; Q8IZ17

BACKGROUND:
The protein Glutamine synthetase, also termed Glutamate--ammonia ligase or Palmitoyltransferase GLUL, is essential for converting glutamate and ammonia into glutamine, a process vital for detoxifying ammonia in the brain and liver. It also plays roles in fetal skin fibroblast proliferation, endothelial cell migration during vascular development, and ribosomal 40S subunit formation. Its activity includes potential palmitoyltransferase action for RHOJ, indicating a multifaceted biological significance.

THERAPEUTIC SIGNIFICANCE:
The malfunction of Glutamine synthetase is directly associated with Congenital systemic glutamine deficiency, characterized by severe neurological and multi-organ impairments leading to early mortality. The exploration of Glutamine synthetase's functions and pathogenic mutations offers a promising avenue for developing novel therapeutic interventions for this lethal condition.

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