Focused On-demand Library for Sulfotransferase 2B1

Focused On-demand Libraries - Receptor.AI 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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening 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 distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
O00204

UPID:
ST2B1_HUMAN

ALTERNATIVE NAMES:
Alcohol sulfotransferase; Hydroxysteroid sulfotransferase 2; Sulfotransferase family 2B member 1; Sulfotransferase family cytosolic 2B member 1

ALTERNATIVE UPACC:
O00204; O00205; O75814

BACKGROUND:
Sulfotransferase 2B1, recognized for its ability to catalyze the sulfate conjugation of cholesterol and certain steroids, is integral to epidermal cholesterol metabolism. Its activities suggest a broader role in skin health, influencing both the proliferation and differentiation of epidermal cells.

THERAPEUTIC SIGNIFICANCE:
Given its association with Ichthyosis, congenital, autosomal recessive 14, the study of Sulfotransferase 2B1 offers a promising avenue for therapeutic intervention. The enzyme's critical functions in skin metabolism and health position it as a key target for drug discovery in dermatological conditions.

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