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.
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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9H5I1
UPID:
SUV92_HUMAN
Alternative names:
Histone H3-K9 methyltransferase 2; Lysine N-methyltransferase 1B; Suppressor of variegation 3-9 homolog 2
Alternative UPACC:
Q9H5I1; D3DRT4; Q5JSS4; Q5JSS5; Q6I9Y3; Q8ND06
Background:
Histone-lysine N-methyltransferase SUV39H2, also known as Histone H3-K9 methyltransferase 2, plays a pivotal role in chromatin structure and function. It specifically trimethylates 'Lys-9' of histone H3, a key epigenetic marker for transcriptional repression, and is crucial for the formation of constitutive heterochromatin at pericentric and telomere regions. This enzyme's activity is essential for DNA methylation and cell cycle regulation, impacting transcriptional repression and telomere length regulation.
Therapeutic significance:
Understanding the role of Histone-lysine N-methyltransferase SUV39H2 could open doors to potential therapeutic strategies.