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

Focused On-demand Libraries - Reaxense 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. Our partner 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Reaxense

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, mitochondrial, also known as 3-oxoacid CoA-transferase 1, plays a pivotal role in ketone body catabolism. It catalyzes the initial step of ketone body utilization in extrahepatic tissues, facilitating the conversion of acetoacetate into acetoacetyl-CoA, which is then metabolized for energy production. This enzyme operates as a dimer, with each subunit capable of forming enzyme-CoA thiolester intermediates, although only one subunit transfers the CoA moiety to the acceptor carboxylate.

Therapeutic significance:

The enzyme's deficiency is linked to Succinyl-CoA:3-oxoacid CoA transferase deficiency, a metabolic disorder characterized by episodic ketoacidosis. Understanding the role of Succinyl-CoA:3-ketoacid coenzyme A transferase 1 could open doors to potential therapeutic strategies for this condition.