Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P49840
UPID:
GSK3A_HUMAN
Alternative names:
Serine/threonine-protein kinase GSK3A
Alternative UPACC:
P49840; O14959
Background:
Glycogen synthase kinase-3 alpha (GSK3A) is a serine/threonine-protein kinase with a pivotal role in various cellular processes, including glucose homeostasis, Wnt signaling, and transcription regulation. It phosphorylates and inactivates key proteins such as glycogen synthase, beta-catenin, and APC, influencing insulin regulation, neuronal polarity, and cell apoptosis.
Therapeutic significance:
Understanding the role of Glycogen synthase kinase-3 alpha could open doors to potential therapeutic strategies. Its involvement in insulin resistance, Alzheimer's disease, and autophagy regulation highlights its potential as a target for therapeutic intervention in metabolic disorders and neurodegenerative diseases.