Focused On-demand Library for Carbohydrate sulfotransferase 12

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

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 top-notch dedicated system is used to design specialised 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

Q9NRB3

UPID:

CHSTC_HUMAN

Alternative names:

Chondroitin 4-O-sulfotransferase 2; Chondroitin 4-sulfotransferase 2; Sulfotransferase Hlo

Alternative UPACC:

Q9NRB3; A4D1Z9; Q502W3; Q9NXY7

Background:

Carbohydrate sulfotransferase 12, known by its alternative names Chondroitin 4-O-sulfotransferase 2 and Sulfotransferase Hlo, plays a crucial role in the biosynthesis of chondroitin sulfate. This enzyme catalyzes the transfer of sulfate to the N-acetylgalactosamine residue of chondroitin, a key component of cartilage and extracellular matrices. Its activity is essential for the proper formation of chondroitin sulfate, which is vital for cellular and tissue integrity.

Therapeutic significance:

Understanding the role of Carbohydrate sulfotransferase 12 could open doors to potential therapeutic strategies. Its pivotal function in the synthesis of chondroitin sulfate, a major proteoglycan in cartilage, highlights its potential as a target in addressing disorders related to cartilage degradation and extracellular matrix disorders.