Focused On-demand Library for Heparan-sulfate 6-O-sulfotransferase 1

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

O60243

UPID:

H6ST1_HUMAN

Alternative names:

Alternative UPACC:

O60243; B4DEP2; B4DJ29; Q53SL2; Q9BVI1

Background:

Heparan-sulfate 6-O-sulfotransferase 1, encoded by the gene with accession number O60243, is a pivotal enzyme in the modification of heparan sulfate. This enzyme catalyzes the transfer of sulfate groups, playing a crucial role in the structural diversity of heparan sulfate. Its activity is essential for various biological processes, including neuronal development and limb formation, where it influences neuron branching and potentially limb development through its preference for iduronic acid.

Therapeutic significance:

The enzyme's involvement in Hypogonadotropic hypogonadism 15 with or without anosmia highlights its clinical relevance. This condition, characterized by delayed or absent sexual maturation and low levels of gonadotropins and testosterone, underscores the enzyme's potential as a therapeutic target. Understanding the role of Heparan-sulfate 6-O-sulfotransferase 1 could open doors to potential therapeutic strategies for treating not only reproductive disorders but also associated non-reproductive phenotypes like anosmia and sensorineural hearing loss.