Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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 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.
Key features that set our library apart include:
partner
Reaxense
upacc
P49841
UPID:
GSK3B_HUMAN
Alternative names:
Serine/threonine-protein kinase GSK3B
Alternative UPACC:
P49841; D3DN89; Q9BWH3; Q9UL47
Background:
Glycogen synthase kinase-3 beta (GSK3B) is a serine/threonine-protein kinase with a pivotal role in various cellular processes, including glucose homeostasis, Wnt signaling, and transcription regulation. It phosphorylates a wide array of substrates, such as glycogen synthase, EIF2B, and beta-catenin, influencing their activity and stability. GSK3B's involvement in insulin regulation, protein synthesis, and neuronal polarity underscores its importance in cellular functioning.
Therapeutic significance:
Understanding the role of Glycogen synthase kinase-3 beta could open doors to potential therapeutic strategies. Its critical functions in insulin resistance, Alzheimer's disease, and cancer highlight GSK3B as a promising target for drug discovery efforts aimed at addressing these conditions.