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.
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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NVD3
UPID:
SETD4_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NVD3; B4DT14; D3DSG2; D3DSG4; Q8NE19; Q9BU46
Background:
SET domain-containing protein 4 (SETD4) plays a pivotal role in cellular processes, including cell proliferation, differentiation, and the inflammatory response. It specifically regulates gene expression through histone methylation, such as mono- and dimethylation of 'Lys-4' of histone H3 and trimethylation of 'Lys-20' of histone H4, impacting pro-inflammatory cytokines and stem cell quiescence.
Therapeutic significance:
Understanding the role of SET domain-containing protein 4 could open doors to potential therapeutic strategies, particularly in modulating the inflammatory response and enhancing stem cell therapies.