Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 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
Q96MM7
UPID:
H6ST2_HUMAN
Alternative names:
-
Alternative UPACC:
Q96MM7; B9WRT4; B9WRT5; E9PDY5; Q2TB13; Q4VC07; Q6PIC4; Q86SM9; Q8N3T4; Q8NBN4; Q96SJ4
Background:
Heparan-sulfate 6-O-sulfotransferase 2 plays a pivotal role in the sulfation process of heparan sulfate, a critical component of the extracellular matrix. This enzyme's activity is essential for modifying heparan sulfate's structure and function, impacting various biological processes.
Therapeutic significance:
Linked to Paganini-Miozzo syndrome, a neurodevelopmental disorder, understanding the enzyme's role could pave the way for novel therapeutic strategies targeting the underlying genetic variants.