Focused On-demand Library for Isobutyryl-CoA dehydrogenase, mitochondrial

Focused On-demand Libraries - Receptor.AI 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. 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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.


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
Q9UKU7

UPID:
ACAD8_HUMAN

ALTERNATIVE NAMES:
Activator-recruited cofactor 42 kDa component; Acyl-CoA dehydrogenase family member 8

ALTERNATIVE UPACC:
Q9UKU7; B7Z5W4; Q6ZWP6; Q9BUS8

BACKGROUND:
The mitochondrial enzyme Isobutyryl-CoA dehydrogenase, alternatively named Activator-recruited cofactor 42 kDa component, is pivotal in breaking down amino acids in the valine degradation pathway. It specifically catalyzes the conversion of 2-methylpropanoyl-CoA, playing a role in energy production from proteins.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Isobutyryl-CoA dehydrogenase deficiency, a disorder characterized by carnitine deficiency and elevated C4-acylcarnitine, the study of Isobutyryl-CoA dehydrogenase is vital. Exploring its mechanisms could unlock new therapeutic avenues for affected individuals.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 7617 of 8789