AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Glycine dehydrogenase (decarboxylating), mitochondrial

Available from Reaxense
Predicted by Alphafold

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.

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

P23378

UPID:

GCSP_HUMAN

Alternative names:

Glycine cleavage system P protein; Glycine decarboxylase; Glycine dehydrogenase (aminomethyl-transferring)

Alternative UPACC:

P23378; Q2M2F8

Background:

Glycine dehydrogenase (decarboxylating), mitochondrial, also known as Glycine cleavage system P protein, plays a pivotal role in the glycine cleavage system. It catalyzes the degradation of glycine, binding the alpha-amino group through its pyridoxal phosphate cofactor, facilitating CO(2) release and transfer of the methylamine moiety to the lipoamide cofactor of the H protein.

Therapeutic significance:

The protein is directly linked to Non-ketotic hyperglycinemia, an autosomal recessive disease characterized by severe neurological symptoms due to glycine accumulation. Understanding its mechanism offers a pathway to targeted treatments for this condition.

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