Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
We use our state-of-the-art dedicated workflow for designing focused 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H7Z6
UPID:
KAT8_HUMAN
Alternative names:
Lysine acetyltransferase 8; MOZ, YBF2/SAS3, SAS2 and TIP60 protein 1
Alternative UPACC:
Q9H7Z6; A8K4Z1; G5E9P2; Q659G0; Q7LC17; Q8IY59; Q8WYB4; Q8WZ14; Q9HAC5; Q9NR35
Background:
Histone acetyltransferase KAT8, also known as Lysine acetyltransferase 8, plays a pivotal role in transcriptional activation by acetylating nucleosomal histone H4. This modification, particularly at H4K16, is crucial for chromatin structure and function, influencing gene expression. KAT8's activity extends to non-histone targets, such as TP53, highlighting its versatile role in cellular processes.
Therapeutic significance:
KAT8's mutation is linked to Li-Ghorbani-Weisz-Hubshman syndrome, characterized by developmental delays, intellectual disability, and brain abnormalities. Understanding KAT8's function and its dysregulation offers a pathway to targeted therapies for this syndrome, emphasizing the protein's therapeutic potential.