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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

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.