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:
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.