Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8WTS6
UPID:
SETD7_HUMAN
Alternative names:
Histone H3-K4 methyltransferase SETD7; Lysine N-methyltransferase 7; SET domain-containing protein 7; SET7/9
Alternative UPACC:
Q8WTS6; B5WWL3; Q0VAH3; Q4W5A9; Q9C0E6
Background:
Histone-lysine N-methyltransferase SETD7, also known as SET7/9, plays a pivotal role in epigenetic transcriptional activation through specific methylation of 'Lys-4' on histone H3. This modification serves as a key marker for transcriptional activation, influencing the expression of critical genes, including those involved in collagenase and insulin production. Beyond histones, SETD7 exhibits methyltransferase activity towards non-histone proteins such as CGAS, p53/TP53, and TAF10, modulating their function and interaction with other cellular components.
Therapeutic significance:
Understanding the role of Histone-lysine N-methyltransferase SETD7 could open doors to potential therapeutic strategies.