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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening 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.

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

O14832

UPID:

PAHX_HUMAN

Alternative names:

Phytanic acid oxidase; Phytanoyl-CoA alpha-hydroxylase

Alternative UPACC:

O14832; A8MTS8; B1ALH5

Background:

Phytanoyl-CoA dioxygenase, peroxisomal, also known as Phytanic acid oxidase or Phytanoyl-CoA alpha-hydroxylase, plays a crucial role in the metabolism of phytanic acid. This enzyme catalyzes the 2-hydroxylation of various fatty acids, crucial for preventing the accumulation of potentially harmful substances in the body. Its activity is essential for the breakdown of branched-chain fatty acids, which, if accumulated, can lead to severe metabolic disorders.

Therapeutic significance:

The enzyme's dysfunction is directly linked to Refsum disease, a rare autosomal recessive disorder characterized by the accumulation of phytanic acid. Understanding the role of Phytanoyl-CoA dioxygenase could open doors to potential therapeutic strategies for treating or managing this condition, highlighting its significance in medical research and drug discovery.