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.
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 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 stands out due to several important features:
partner
Reaxense
upacc
Q9UJ37
UPID:
SIA7B_HUMAN
Alternative names:
GalNAc alpha-2,6-sialyltransferase II; ST6GalNAc II; SThM; Sialyltransferase 7B
Alternative UPACC:
Q9UJ37; Q12971
Background:
Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2, also known as ST6GalNAc II, plays a crucial role in the modification of glycan chains in glycoproteins. It specifically catalyzes the transfer of N-acetylneuraminyl groups, showing a preference for substrates already modified with galactose or sialic acid. This enzyme's activity is pivotal in the biosynthesis and structural diversity of cell surface molecules.
Therapeutic significance:
Understanding the role of Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2 could open doors to potential therapeutic strategies. Its involvement in the precise modification of glycoproteins suggests its potential as a target for modulating cell surface properties, which could have implications in treating diseases where cell surface interactions play a key role.