Focused On-demand Library for Sulfotransferase 1A2

Focused On-demand Libraries - Reaxense Collaboration

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.

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 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 employ our advanced, specialised process to create targeted 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 is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P50226

UPID:

ST1A2_HUMAN

Alternative names:

Aryl sulfotransferase 2; Phenol sulfotransferase 2; Phenol-sulfating phenol sulfotransferase 2

Alternative UPACC:

P50226; A9QY25; P78393; Q14CJ7

Background:

Sulfotransferase 1A2, known alternatively as Aryl sulfotransferase 2, Phenol sulfotransferase 2, and Phenol-sulfating phenol sulfotransferase 2, plays a pivotal role in the metabolism of various substances. It utilizes 3'-phospho-5'-adenylyl sulfate as a sulfonate donor to catalyze the sulfate conjugation of catecholamines, phenolic drugs, and neurotransmitters. Additionally, it is crucial for the sulfonation and activation of minoxidil and mediates the metabolic activation of carcinogenic N-hydroxyarylamines to DNA binding products.

Therapeutic significance:

Understanding the role of Sulfotransferase 1A2 could open doors to potential therapeutic strategies, especially in the context of its involvement in drug metabolism and potential modulation of cancer risk.