Focused On-demand Library for Isocitrate dehydrogenase [NAD] subunit alpha, 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 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.

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

P50213

UPID:

IDH3A_HUMAN

Alternative names:

Isocitric dehydrogenase subunit alpha; NAD(+)-specific ICDH subunit alpha

Alternative UPACC:

P50213; D3DW83; Q9H3X0

Background:

Isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial, also known as Isocitric dehydrogenase subunit alpha, plays a pivotal role in the citric acid cycle. It catalyzes the decarboxylation of isocitrate into alpha-ketoglutarate, a critical step in cellular respiration and energy production. This enzyme functions as part of a heterotetramer, requiring the cooperative interaction of its subunits for full activity.

Therapeutic significance:

Retinitis pigmentosa 90, a genetic disorder affecting vision, is linked to mutations in the gene encoding this protein. Understanding the role of Isocitrate dehydrogenase [NAD] subunit alpha could open doors to potential therapeutic strategies for this retinal dystrophy.