Focused On-demand Library for Sulfotransferase 1C3

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q6IMI6

UPID:

ST1C3_HUMAN

Alternative names:

Alternative UPACC:

Q6IMI6; Q6IMI5

Background:

Sulfotransferase 1C3, encoded by the gene with accession number Q6IMI6, plays a crucial role in the metabolism of various compounds through its sulfotransferase activity. It utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) as a sulfonate donor to transfer sulfate groups to substrates including bile acids, thyroid hormones, and xenobiotic compounds like chlorophenols and hydroxypyrenes. Among endogenous compounds, lithocholic acid is its best substrate, while 3,3',5,5'-tetrachloro-4,4'-biphenyldiol exhibits the highest specific activity among xenobiotic compounds.

Therapeutic significance:

Understanding the role of Sulfotransferase 1C3 could open doors to potential therapeutic strategies. Its involvement in the metabolism of both endogenous substances and xenobiotics suggests its potential impact on drug metabolism and detoxification processes, highlighting its importance in developing targeted therapies.