Focused On-demand Library for Peroxisomal multifunctional enzyme type 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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.







Alternative names:

17-beta-hydroxysteroid dehydrogenase 4; D-bifunctional protein; Multifunctional protein 2; Short chain dehydrogenase/reductase family 8C member 1

Alternative UPACC:

P51659; B4DNV1; B4DVS5; E9PB82; F5HE57


Peroxisomal multifunctional enzyme type 2, also known as 17-beta-hydroxysteroid dehydrogenase 4, D-bifunctional protein, and Multifunctional protein 2, plays a crucial role in the peroxisomal fatty acid beta-oxidation pathway. It catalyzes essential reactions in fatty acid degradation, including the hydration of 2-enoyl-CoA and dehydrogenation of (3R)-3-hydroxyacyl-CoA, facilitating the production of 3-ketoacyl-CoA. This enzyme's versatility extends to processing both straight-chain and branched-chain fatty acids, alongside bile acid intermediates.

Therapeutic significance:

The enzyme's dysfunction is linked to D-bifunctional protein deficiency and Perrault syndrome 1, diseases characterized by peroxisomal fatty acid beta-oxidation disorders and sensorineural deafness, respectively. Understanding the role of Peroxisomal multifunctional enzyme type 2 could open doors to potential therapeutic strategies, offering hope for targeted treatments for these conditions.

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