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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q8N0V5
UPID:
GNT2A_HUMAN
Alternative names:
I-branching enzyme; IGNT
Alternative UPACC:
Q8N0V5; Q06430; Q5T4J1; Q5W0E9; Q6T5E5; Q8NFS9
Background:
N-acetyllactosaminide beta-1,6-N-acetylglucosaminyl-transferase, also known as I-branching enzyme or IGNT, plays a pivotal role in the conversion of linear into branched poly-N-acetyllactosaminoglycans. It is instrumental in introducing the blood group I antigen during embryonic development and is closely associated with erythroid cells' development and maturation.
Therapeutic significance:
The enzyme's mutation is linked to Cataract 13, with adult i phenotype, a condition characterized by lens opacification leading to visual impairment or blindness. Understanding the role of N-acetyllactosaminide beta-1,6-N-acetylglucosaminyl-transferase could open doors to potential therapeutic strategies for this rare disease.