Focused On-demand Library for Sulfotransferase 2B1

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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

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, also known as Hydroxysteroid sulfotransferase 2, plays a pivotal role in the sulfation of cholesterol and steroids like pregnenolone and DHEA. This enzyme is crucial for cholesterol metabolism and the regulation of epidermal proliferation and differentiation, highlighting its significance in skin health.

Therapeutic significance:

Linked to Ichthyosis, congenital, autosomal recessive 14, Sulfotransferase 2B1's dysfunction underscores its potential as a therapeutic target. Understanding the role of Sulfotransferase 2B1 could open doors to potential therapeutic strategies for skin disorders, emphasizing the need for innovative treatments.