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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 high-tech, dedicated method is applied to construct targeted 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
O14792
UPID:
HS3S1_HUMAN
Alternative names:
Heparan sulfate D-glucosaminyl 3-O-sulfotransferase 1
Alternative UPACC:
O14792; B3KUA6; Q6PEY8
Background:
Heparan sulfate glucosamine 3-O-sulfotransferase 1, also known as Heparan sulfate D-glucosaminyl 3-O-sulfotransferase 1, plays a pivotal role in the biosynthesis of heparan sulfate. This enzyme is essential for transferring a sulfo group to glucosamine residues, a critical step in forming anticoagulant heparan sulfate. Its activity is the rate-limiting step in heparan sulfate biosynthesis, highlighting its importance in biological processes.
Therapeutic significance:
Understanding the role of Heparan sulfate glucosamine 3-O-sulfotransferase 1 could open doors to potential therapeutic strategies. Its crucial function in the biosynthesis of anticoagulant heparan sulfate positions it as a key target for developing treatments against thrombotic disorders.