Focused On-demand Library for Steryl-sulfatase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.







Alternative names:

Arylsulfatase C; Estrone sulfatase; Steroid sulfatase; Steryl-sulfate sulfohydrolase

Alternative UPACC:

P08842; B2RA47


Steryl-sulfatase, also known as Arylsulfatase C, Estrone sulfatase, and Steroid sulfatase, plays a pivotal role in the metabolism of steroid hormones. It catalyzes the conversion of sulfated steroid precursors like dehydroepiandrosterone sulfate (DHEA-S) and estrone sulfate into their free, active forms. This enzyme's activity is crucial for the regulation of steroid hormone availability in various tissues.

Therapeutic significance:

Steryl-sulfatase is directly linked to Ichthyosis, X-linked, a keratinization disorder characterized by erythroderma and generalized exfoliation of the skin. Understanding the enzyme's role in this condition could lead to targeted therapies that address the underlying genetic and biochemical pathways.

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