Focused On-demand Library for Heparan-sulfate 6-O-sulfotransferase 3

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop focused 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 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

Q8IZP7

UPID:

H6ST3_HUMAN

Alternative names:

Alternative UPACC:

Q8IZP7; Q5W0L0; Q68CW6

Background:

Heparan-sulfate 6-O-sulfotransferase 3, encoded by the gene with accession number Q8IZP7, plays a crucial role in the modification of heparan sulfate. This enzyme is responsible for the 6-O-sulfation of N-sulfoglucosamine residues, a key process in the biosynthesis of heparan sulfate, which is vital for various biological functions including cell signaling, coagulation, and development.

Therapeutic significance:

Understanding the role of Heparan-sulfate 6-O-sulfotransferase 3 could open doors to potential therapeutic strategies. Its involvement in the precise modification of heparan sulfate suggests its potential impact on numerous physiological and pathological processes, offering a promising target for drug discovery efforts aimed at modulating heparan sulfate's function.