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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused 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:
partner
Reaxense
upacc
Q96QI5
UPID:
HS3S6_HUMAN
Alternative names:
Heparan sulfate D-glucosaminyl 3-O-sulfotransferase 6
Alternative UPACC:
Q96QI5; Q96RX7
Background:
Heparan sulfate glucosamine 3-O-sulfotransferase 6, also known as Heparan sulfate D-glucosaminyl 3-O-sulfotransferase 6, plays a crucial role in modifying heparan sulfate. This modification is essential for the binding and entry of Herpes Simplex Virus-1 (HSV-1) into cells. The enzyme utilizes 3'-phospho-5'-adenylyl sulfate (PAPS) to transfer sulfo groups, specifically affecting the substrate's O-sulfation.
Therapeutic significance:
The protein's involvement in Hereditary Angioedema 8, an autosomal dominant disorder characterized by episodic swelling, highlights its potential as a therapeutic target. Understanding the role of Heparan sulfate glucosamine 3-O-sulfotransferase 6 could open doors to potential therapeutic strategies for managing this condition.