Focused On-demand Library for 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial

Focused On-demand Libraries - Receptor.AI 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 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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We utilise our cutting-edge, exclusive workflow to develop focused 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
P21953

UPID:
ODBB_HUMAN

ALTERNATIVE NAMES:
Branched-chain alpha-keto acid dehydrogenase E1 component beta chain

ALTERNATIVE UPACC:
P21953; Q5T2J3; Q9BQL0

BACKGROUND:
The mitochondrial protein, 2-oxoisovalerate dehydrogenase subunit beta, is integral to the catabolism of branched-chain amino acids. As part of the BCKD complex, it initiates the oxidative decarboxylation of alpha-ketoacids, a vital step in energy production.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of 2-oxoisovalerate dehydrogenase subunit beta could open doors to potential therapeutic strategies for metabolic disorders such as Maple syrup urine disease 1B, offering hope for advancements in treatment.

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