Focused On-demand Library for Phenylalanine-4-hydroxylase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 utilise our cutting-edge, exclusive workflow to develop focused 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

P00439

UPID:

PH4H_HUMAN

Alternative names:

Phe-4-monooxygenase

Alternative UPACC:

P00439; Q16717; Q8TC14

Background:

Phenylalanine-4-hydroxylase, also known as Phe-4-monooxygenase, plays a pivotal role in amino acid metabolism by catalyzing the conversion of L-phenylalanine to L-tyrosine. This enzyme's activity is crucial for maintaining normal levels of phenylalanine in the blood.

Therapeutic significance:

Mutations affecting Phenylalanine-4-hydroxylase lead to disorders such as Phenylketonuria, Non-phenylketonuria hyperphenylalaninemia, and Hyperphenylalaninemia. These conditions underscore the enzyme's critical role in preventing intellectual disability and other symptoms through dietary management or therapeutic intervention.