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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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 employ our advanced, specialised process to create 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
O43781
UPID:
DYRK3_HUMAN
Alternative names:
Regulatory erythroid kinase
Alternative UPACC:
O43781; D3DT79; Q7Z752; Q9HBY6; Q9HBY7
Background:
Dual specificity tyrosine-phosphorylation-regulated kinase 3, also known as Regulatory erythroid kinase, plays a pivotal role in cell cycle progression by promoting the disassembly of membraneless organelles during mitosis. It autophosphorylates and phosphorylates substrates on serine and threonine residues, crucial for the dissolution of stress granules, nuclear speckles, and pericentriolar material. This kinase is instrumental in regulating mTORC1 signaling by mediating stress granule dissolution and acts as a negative regulator of EPO-dependent erythropoiesis.
Therapeutic significance:
Understanding the role of Dual specificity tyrosine-phosphorylation-regulated kinase 3 could open doors to potential therapeutic strategies.