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.
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 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.
Our high-tech, dedicated method is applied to construct targeted 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:
partner
Reaxense
upacc
Q7LGA3
UPID:
HS2ST_HUMAN
Alternative names:
-
Alternative UPACC:
Q7LGA3; D3DT22; O75036; Q32NB5; Q8TAC5; Q9H441; Q9NUJ9
Background:
Heparan sulfate 2-O-sulfotransferase 1 plays a pivotal role in the biosynthesis of heparan sulfate (HS), a critical component of the extracellular matrix. By catalyzing the transfer of sulfate groups to hexuronic acid residues, it ensures HS's involvement in high-affinity ligand interactions and signaling pathways.
Therapeutic significance:
Linked to Neurofacioskeletal syndrome with or without renal agenesis, understanding the role of Heparan sulfate 2-O-sulfotransferase 1 could open doors to potential therapeutic strategies. Its involvement in developmental and morphological anomalies highlights its potential as a target for therapeutic intervention.