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.
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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13043
UPID:
STK4_HUMAN
Alternative names:
Mammalian STE20-like protein kinase 1; STE20-like kinase MST1; Serine/threonine-protein kinase Krs-2
Alternative UPACC:
Q13043; B2RCR8; Q15802; Q4G156; Q5H982; Q6PD60; Q9BR32; Q9NTZ4
Background:
Serine/threonine-protein kinase 4 (STK4), also known as Mammalian STE20-like protein kinase 1 and STE20-like kinase MST1, plays a crucial role in the Hippo signaling pathway, organ size control, and tumor suppression. It is involved in apoptosis, phosphorylating key substrates such as FOXO3 and SIRT1, and inhibiting PKB/AKT1.
Therapeutic significance:
STK4's involvement in Immunodeficiency 110 with lymphoproliferation highlights its potential as a target for therapeutic intervention. Understanding the role of STK4 could open doors to potential therapeutic strategies for treating this immunodeficiency and preventing associated lymphoma.