Focused On-demand Library for Carbohydrate sulfotransferase 11

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 top-notch dedicated system is used to design specialised 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.

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

Reaxense

upacc

Q9NPF2

UPID:

CHSTB_HUMAN

Alternative names:

Chondroitin 4-O-sulfotransferase 1; Chondroitin 4-sulfotransferase 1

Alternative UPACC:

Q9NPF2; A8K4F8; Q9NXY6; Q9NY36

Background:

Carbohydrate sulfotransferase 11, also known as Chondroitin 4-O-sulfotransferase 1, plays a pivotal role in the biosynthesis of chondroitin sulfate. This enzyme is crucial for the proper formation of cartilage and the maintenance of extracellular matrices, highlighting its significance in skeletal development and cellular functions.

Therapeutic significance:

The enzyme's association with Osteochondrodysplasia, characterized by skeletal defects and limb malformations, underscores its therapeutic potential. Targeting Carbohydrate sulfotransferase 11 could lead to innovative treatments for skeletal dysplasia and related disorders, offering hope for affected individuals.