Focused On-demand Library for Phytanoyl-CoA dioxygenase, peroxisomal

Focused On-demand Libraries - Receptor.AI 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 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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
O14832

UPID:
PAHX_HUMAN

ALTERNATIVE NAMES:
Phytanic acid oxidase; Phytanoyl-CoA alpha-hydroxylase

ALTERNATIVE UPACC:
O14832; A8MTS8; B1ALH5

BACKGROUND:
The enzyme Phytanoyl-CoA dioxygenase, found in peroxisomes, is pivotal in fatty acid metabolism, specifically targeting the hydroxylation of phytanic acid and other fatty acids. Known alternatively as Phytanic acid oxidase, this enzyme's efficient functioning prevents the toxic buildup of fatty acids, underscoring its vital role in maintaining metabolic health.

THERAPEUTIC SIGNIFICANCE:
Given its critical function, aberrations in Phytanoyl-CoA dioxygenase activity are implicated in Refsum disease, marked by phytanic acid accumulation and diverse neurological and dermatological symptoms. Targeting this enzyme's pathway offers a promising avenue for therapeutic intervention, underscoring the enzyme's importance in disease treatment strategies.

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