Focused On-demand Library for Methylmalonyl-CoA epimerase, mitochondrial

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


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


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
Q96PE7

UPID:
MCEE_HUMAN

ALTERNATIVE NAMES:
DL-methylmalonyl-CoA racemase

ALTERNATIVE UPACC:
Q96PE7; Q53TP1; Q8WW63

BACKGROUND:
The enzyme Methylmalonyl-CoA epimerase, located in mitochondria and alternatively named DL-methylmalonyl-CoA racemase, is integral to the catabolism of propionyl-CoA. It ensures the proper utilization of valine, threonine, isoleucine, and methionine by converting methylmalonyl-CoA into its usable form.

THERAPEUTIC SIGNIFICANCE:
Deficiency in Methylmalonyl-CoA epimerase manifests as Methylmalonyl-CoA epimerase deficiency, a disorder marked by severe metabolic challenges from birth. The enzyme's critical role in metabolism highlights its potential as a target for developing treatments aimed at correcting the underlying metabolic imbalances.

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