AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dihydroorotate dehydrogenase (quinone), mitochondrial

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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.

We employ our advanced, specialised process to create targeted 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

Q02127

UPID:

PYRD_HUMAN

Alternative names:

Dihydroorotate oxidase

Alternative UPACC:

Q02127; A8K8C8; Q6P176

Background:

Dihydroorotate dehydrogenase (quinone), mitochondrial, also known as Dihydroorotate oxidase, plays a pivotal role in pyrimidine biosynthesis. It catalyzes the conversion of dihydroorotate to orotate, a critical step in the de novo pathway of UMP (uridine monophosphate) production, essential for DNA and RNA synthesis.

Therapeutic significance:

Postaxial acrofacial dysostosis (POADS) is linked to mutations affecting this enzyme, highlighting its importance in human development and disease. Understanding the role of Dihydroorotate dehydrogenase could open doors to potential therapeutic strategies for treating POADS and related disorders.

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