AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for D-beta-hydroxybutyrate dehydrogenase, 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

Q02338

UPID:

BDH_HUMAN

Alternative names:

3-hydroxybutyrate dehydrogenase; Short chain dehydrogenase/reductase family 9C member 1

Alternative UPACC:

Q02338; D3DXC0; Q96ET1; Q9BRZ4

Background:

D-beta-hydroxybutyrate dehydrogenase, mitochondrial, also known as 3-hydroxybutyrate dehydrogenase and part of the short chain dehydrogenase/reductase family 9C member 1, plays a pivotal role in ketone body metabolism. This enzyme catalyzes the reversible conversion of acetoacetate to D-beta-hydroxybutyrate in the mitochondria, a critical step in the utilization of fat as an energy source during fasting states.

Therapeutic significance:

Understanding the role of D-beta-hydroxybutyrate dehydrogenase could open doors to potential therapeutic strategies. Its involvement in energy metabolism makes it a potential target for conditions related to metabolic dysfunctions.

Looking for more information on this library or underlying technology? Fill out the form below and we'll be in touch with all the details you need.
Thank you! Your submission has been received!
Oops! Something went wrong while submitting the form.
No Spam. Cancel Anytime.