Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
O43529
UPID:
CHSTA_HUMAN
Alternative names:
HNK-1 sulfotransferase
Alternative UPACC:
O43529; Q53T18
Background:
Carbohydrate sulfotransferase 10, also known as HNK-1 sulfotransferase, plays a pivotal role in the biosynthesis of the HNK-1 carbohydrate structure. This enzyme catalyzes the transfer of sulfate to terminal glucuronic acid of oligosaccharides, crucial for neural recognition molecules involved in cell interactions during development and synaptic plasticity in adults. It also sulfates glucuronidated estrogens and androgens, impacting hormone cycles and fertility.
Therapeutic significance:
Understanding the role of Carbohydrate sulfotransferase 10 could open doors to potential therapeutic strategies, particularly in enhancing synaptic plasticity and regulating hormone-related disorders.