Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9Y617
UPID:
SERC_HUMAN
Alternative names:
Phosphohydroxythreonine aminotransferase
Alternative UPACC:
Q9Y617; Q5T7G5; Q5T7G6; Q96AW2; Q9BQ12
Background:
Phosphoserine aminotransferase, also known as Phosphohydroxythreonine aminotransferase, plays a crucial role in amino acid metabolism by catalyzing the reversible conversion of 3-phosphohydroxypyruvate to phosphoserine and of 3-hydroxy-2-oxo-4-phosphonooxybutanoate to phosphohydroxythreonine. This enzyme's activity is pivotal for the biosynthesis of serine and glycine, essential components for various biological processes.
Therapeutic significance:
Phosphoserine aminotransferase deficiency and Neu-Laxova syndrome 2 are severe diseases linked to mutations in the gene encoding this enzyme, highlighting its critical role in human health. Understanding the enzyme's function could pave the way for innovative treatments for these and potentially other related disorders.