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.
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 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
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.