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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P78330
UPID:
SERB_HUMAN
Alternative names:
L-3-phosphoserine phosphatase; O-phosphoserine phosphohydrolase
Alternative UPACC:
P78330; B2RCR5; Q7Z3S5
Background:
Phosphoserine phosphatase (PSP), also known as L-3-phosphoserine phosphatase or O-phosphoserine phosphohydrolase, plays a pivotal role in the biosynthesis of L-serine from carbohydrates. It catalyzes the dephosphorylation of O-phospho-L-serine to L-serine, a critical step in various metabolic pathways including protein synthesis, amino acid production, nucleotide metabolism, and glutathione synthesis. L-serine is also racemized to D-serine, a neuromodulator, highlighting PSP's multifaceted role in biological systems.
Therapeutic significance:
PSP deficiency is linked to a rare autosomal recessive disorder characterized by growth retardation, psychomotor retardation, and facial features suggestive of Williams syndrome. This association underscores the therapeutic potential of targeting PSP in treating phosphoserine phosphatase deficiency and possibly other related metabolic disorders.