Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
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.