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 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.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O43916
UPID:
CHST1_HUMAN
Alternative names:
Galactose/N-acetylglucosamine/N-acetylglucosamine 6-O-sulfotransferase 1; Keratan sulfate Gal-6 sulfotransferase
Alternative UPACC:
O43916; D3DQP2
Background:
Carbohydrate sulfotransferase 1, also known as Galactose/N-acetylglucosamine/N-acetylglucosamine 6-O-sulfotransferase 1 and Keratan sulfate Gal-6 sulfotransferase, plays a crucial role in the biosynthesis of keratan sulfate. This enzyme utilizes 3'-phospho-5'-adenylyl sulfate as a sulfonate donor to catalyze the transfer of sulfate to galactose residues within keratan, aiding in the construction and elongation of disulfated disaccharide units. It shows a preference for sulfating keratan sulfate and is involved in the biosynthesis of phosphacan in the brain and 6-sulfoGalbeta-containing O-linked glycans in lymph nodes.
Therapeutic significance:
Understanding the role of Carbohydrate sulfotransferase 1 could open doors to potential therapeutic strategies.