AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dimethylglycine dehydrogenase, mitochondrial

Available from Reaxense
Predicted by Alphafold

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q9UI17

UPID:

M2GD_HUMAN

Alternative names:

ME2GLYDH

Alternative UPACC:

Q9UI17; B2RBN0; B4E1J9

Background:

Dimethylglycine dehydrogenase, mitochondrial (ME2GLYDH), encoded by the gene with accession number Q9UI17, plays a crucial role in the metabolism of amino acids. It specifically catalyzes the demethylation of N,N-dimethylglycine (DMG) to sarcosine, impacting energy production and muscle function.

Therapeutic significance:

ME2GLYDH deficiency, a disorder marked by fish odor and muscle fatigue, underscores the enzyme's importance. This condition, linked to increased serum creatine kinase and elevated DMG levels, highlights the potential of targeting ME2GLYDH for therapeutic intervention.

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