Focused On-demand Library for Succinyl-CoA:3-ketoacid coenzyme A transferase 1, mitochondrial

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
P55809

UPID:
SCOT1_HUMAN

ALTERNATIVE NAMES:
3-oxoacid CoA-transferase 1; Somatic-type succinyl-CoA:3-oxoacid CoA-transferase; Succinyl-CoA:3-oxoacid CoA transferase

ALTERNATIVE UPACC:
P55809; B2R5V2; B7Z528

BACKGROUND:
Succinyl-CoA:3-ketoacid coenzyme A transferase 1, a key mitochondrial enzyme, is essential for the catabolism of ketone bodies, acting by transferring CoA from succinyl-CoA to acetoacetate, producing acetoacetyl-CoA. This process is crucial for energy production in extrahepatic tissues. The enzyme exists as a dimer, where both subunits can form enzyme-CoA thiolester intermediates, but only one is competent for the CoA transfer to the acceptor carboxylate.

THERAPEUTIC SIGNIFICANCE:
Deficiency in this enzyme causes Succinyl-CoA:3-oxoacid CoA transferase deficiency, marked by episodic ketoacidosis. Exploring the function of Succinyl-CoA:3-ketoacid coenzyme A transferase 1 offers a promising avenue for developing treatments for this metabolic disorder.

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