AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sulfotransferase 1A3

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

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 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

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.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P0DMM9

UPID:

ST1A3_HUMAN

Alternative names:

Aryl sulfotransferase 1A3/1A4; Catecholamine-sulfating phenol sulfotransferase; HAST3; M-PST; Monoamine-sulfating phenol sulfotransferase; Placental estrogen sulfotransferase; Sulfotransferase 1A3/1A4; Sulfotransferase, monoamine-preferring; Thermolabile phenol sulfotransferase

Alternative UPACC:

P0DMM9; B4DNV0; O95603; P50224; Q1ET66; Q6ZWJ5

Background:

Sulfotransferase 1A3, also known by alternative names such as Aryl sulfotransferase 1A3/1A4 and Monoamine-sulfating phenol sulfotransferase, plays a crucial role in the metabolism of neurotransmitters and drugs. It utilizes 3'-phospho-5'-adenylyl sulfate as a sulfonate donor to catalyze the sulfate conjugation of phenolic monoamines, including key neurotransmitters like dopamine, norepinephrine, and serotonin, as well as phenolic and catechol drugs.

Therapeutic significance:

Understanding the role of Sulfotransferase 1A3 could open doors to potential therapeutic strategies. Its involvement in the metabolism of neurotransmitters and drugs highlights its significance in neuropharmacology and drug development.

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