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.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q7LFX5
UPID:
CHSTF_HUMAN
Alternative names:
B-cell RAG-associated gene protein; N-acetylgalactosamine 4-sulfate 6-O-sulfotransferase
Alternative UPACC:
Q7LFX5; O60338; O60474; Q86VM4
Background:
Carbohydrate sulfotransferase 15, also known as N-acetylgalactosamine 4-sulfate 6-O-sulfotransferase, plays a pivotal role in the biosynthesis of chondroitin sulfate E by transferring sulfate to the GalNAc 4-sulfate residue. This enzyme is crucial for creating highly sulfated structures, akin to those found in thrombomodulin chondroitin sulfate, which are essential for various biological processes.
Therapeutic significance:
Understanding the role of Carbohydrate sulfotransferase 15 could open doors to potential therapeutic strategies. Its involvement in the synthesis of complex sulfated glycosaminoglycans suggests its potential impact on cellular communication and various disease mechanisms.