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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9Y6E0
UPID:
STK24_HUMAN
Alternative names:
Mammalian STE20-like protein kinase 3; STE20-like kinase MST3
Alternative UPACC:
Q9Y6E0; O14840; Q5JV92
Background:
Serine/threonine-protein kinase 24, known as Mammalian STE20-like protein kinase 3 or STE20-like kinase MST3, is a pivotal enzyme that targets both serine and threonine residues. It plays a crucial role in apoptosis through stress stimuli and caspase activation, modulating phosphorylation of key stress-response pathways including JNK1-JNK2 and p38 MAPKs. Additionally, it is involved in caspase-independent apoptotic pathways, cellular migration, and axon regeneration, highlighting its versatile biological functions.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase 24 could open doors to potential therapeutic strategies.