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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.
Our high-tech, dedicated method is applied to construct targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P32754
UPID:
HPPD_HUMAN
Alternative names:
4-hydroxyphenylpyruvic acid oxidase
Alternative UPACC:
P32754; A8K461; B3KQ63; Q13234
Background:
4-Hydroxyphenylpyruvate dioxygenase, also known as 4-hydroxyphenylpyruvic acid oxidase, plays a crucial role in tyrosine catabolism by catalyzing the conversion of 4-hydroxyphenylpyruvic acid to homogentisic acid. This enzyme's activity is essential for the proper breakdown and utilization of tyrosine, an amino acid critical for protein synthesis and metabolic processes.
Therapeutic significance:
The enzyme's dysfunction is linked to Tyrosinemia 3 and Hawkinsinuria, diseases characterized by abnormal tyrosine metabolism leading to various clinical manifestations including intellectual disability and metabolic acidosis. Understanding the role of 4-hydroxyphenylpyruvate dioxygenase could open doors to potential therapeutic strategies for these metabolic disorders.