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.
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 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.
Our top-notch dedicated system is used to design specialised 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P0DMN0
UPID:
ST1A4_HUMAN
Alternative names:
Aryl sulfotransferase 1A3/1A4; Sulfotransferase 1A3/1A4
Alternative UPACC:
P0DMN0; B4DNV0; O95603; P50224; Q1ET66; Q6ZWJ5
Background:
Sulfotransferase 1A4, also known as Aryl sulfotransferase 1A3/1A4, plays a crucial role in the metabolism of various compounds by catalyzing the sulfate conjugation of phenolic monoamines, including key neurotransmitters like dopamine, norepinephrine, and serotonin, as well as phenolic and catechol drugs. This enzymatic activity is essential for the detoxification and metabolic processing of these compounds.
Therapeutic significance:
Understanding the role of Sulfotransferase 1A4 could open doors to potential therapeutic strategies. Its involvement in the metabolism of neurotransmitters and drugs highlights its potential as a target for modulating the bioavailability and efficacy of therapeutic agents, particularly in the treatment of neurological disorders.