Focused On-demand Library for Dihydrolipoyl dehydrogenase, 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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P09622

UPID:

DLDH_HUMAN

Alternative names:

Dihydrolipoamide dehydrogenase; Glycine cleavage system L protein

Alternative UPACC:

P09622; B2R5X0; B4DHG0; B4DT69; Q14131; Q14167; Q59EV8; Q8WTS4

Background:

Dihydrolipoyl dehydrogenase, mitochondrial, also known as dihydrolipoamide dehydrogenase, plays a pivotal role in mitochondrial energy metabolism. It is integral to the glycine cleavage system and acts as an E3 component in multiple alpha-ketoacid dehydrogenase complexes. This protein's activity is crucial for the mitochondrial 2-oxoglutarate dehydrogenase complex, influencing both energy production and histone modification through lysine succinylation.

Therapeutic significance:

Dihydrolipoamide dehydrogenase deficiency, a metabolic disorder resulting from mutations affecting this protein, underscores its critical role in oxidative metabolism. Understanding the role of dihydrolipoyl dehydrogenase, mitochondrial, could open doors to potential therapeutic strategies.