Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q9UPP1
UPID:
PHF8_HUMAN
Alternative names:
PHD finger protein 8; [histone H3]-dimethyl-L-lysine(36) demethylase PHF8; [histone H3]-dimethyl-L-lysine(9) demethylase PHF8
Alternative UPACC:
Q9UPP1; B3KMV4; B7Z911; Q5H9U5; Q5JPR9; Q5JPS0; Q5JPS2; Q5JPS3; Q5VUJ4; Q7Z6D4; Q9HAH2
Background:
Histone lysine demethylase PHF8, also known as PHD finger protein 8, plays a pivotal role in cell cycle progression, rDNA transcription, and brain development. It specifically targets and demethylates key histone marks, acting as a transcription activator by removing epigenetic repressive marks such as H3K9Me1, H3K9Me2, H3K27Me2, and H4K20Me1. This activity is crucial for the regulation of gene expression, impacting cell division and neuronal gene expression.
Therapeutic significance:
PHF8 is linked to Intellectual developmental disorder, X-linked, syndromic, Siderius type, a condition characterized by intellectual disability and potentially cleft lip/palate. Understanding PHF8's role could unveil new therapeutic strategies for treating this genetic disorder, highlighting the importance of targeted research in epigenetic modulation for developmental diseases.