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.
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 utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:
partner
Reaxense
upacc
Q9H2X6
UPID:
HIPK2_HUMAN
Alternative names:
-
Alternative UPACC:
Q9H2X6; Q75MR7; Q8WWI4; Q9H2Y1
Background:
Homeodomain-interacting protein kinase 2 (HIPK2) is a serine/threonine-protein kinase with pivotal roles in transcription regulation, cellular apoptosis, and cell cycle control. It functions as a corepressor of transcription factors like SMAD1 and POU4F1/Brn3a, and phosphorylates a wide array of substrates including p53/TP53, promoting apoptosis and inhibiting cell growth. HIPK2 is also involved in hypoxia response, angiogenesis, and erythroid differentiation, highlighting its multifaceted role in cellular processes.
Therapeutic significance:
Understanding the role of Homeodomain-interacting protein kinase 2 could open doors to potential therapeutic strategies.