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.
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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop focused 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q09328
UPID:
MGT5A_HUMAN
Alternative names:
Alpha-mannoside beta-1,6-N-acetylglucosaminyltransferase V; GlcNAc-T V; Mannoside acetylglucosaminyltransferase 5; N-acetylglucosaminyl-transferase V
Alternative UPACC:
Q09328; D3DP70
Background:
Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, also known as MGAT5, plays a pivotal role in the biosynthesis of complex N-glycans. These glycans are crucial for the proper function of proteins like EGFR, TGFR, and CDH2, influencing cellular signaling, actin cytoskeleton reorganization, cell-cell adhesion, and migration. MGAT5's activity is essential for enhancing growth factor-mediated signaling pathways, including those activated by FGF2, PDGF, IGF, TGFB1, and EGF.
Therapeutic significance:
Understanding the role of Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A could open doors to potential therapeutic strategies.