Focused On-demand Library for Glutamate dehydrogenase 1, mitochondrial

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.

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P00367

UPID:

DHE3_HUMAN

Alternative names:

Alternative UPACC:

P00367; B3KV55; B4DGN5; Q5TBU3

Background:

Glutamate dehydrogenase 1, mitochondrial, encoded by the gene with accession number P00367, is pivotal in amino acid metabolism. It catalyzes the conversion of L-glutamate to alpha-ketoglutarate, a critical step in the tricarboxylic acid cycle. This enzyme is essential for glutamine anaplerosis and plays a significant role in maintaining insulin homeostasis and neurotransmitter turnover.

Therapeutic significance:

The enzyme's malfunction is linked to Hyperinsulinemic hypoglycemia, familial, 6, a disorder marked by excessive insulin secretion and hyperammonemia. Understanding the role of Glutamate dehydrogenase 1 could open doors to potential therapeutic strategies for managing hypoglycemia and related metabolic conditions.