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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q13188
UPID:
STK3_HUMAN
Alternative names:
Mammalian STE20-like protein kinase 2; STE20-like kinase MST2; Serine/threonine-protein kinase Krs-1
Alternative UPACC:
Q13188; A8K722; B3KYA7; Q15445; Q15801; Q96FM6
Background:
Serine/threonine-protein kinase 3, also known as Mammalian STE20-like protein kinase 2 or STE20-like kinase MST2, plays a crucial role in cellular stress response, apoptosis, and organ size regulation through the Hippo signaling pathway. It is instrumental in tumor suppression, cell proliferation control, and apoptosis promotion. The protein's ability to phosphorylate various substrates, including YAP1, NKX2-1, NEK2, and RAF1, underscores its significance in cellular signaling and homeostasis.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase 3 could open doors to potential therapeutic strategies.