Focused On-demand Library for Histone lysine demethylase PHF8

Focused On-demand Libraries - Receptor.AI Collaboration


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 Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
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:
The protein Histone lysine demethylase PHF8, with aliases such as [histone H3]-dimethyl-L-lysine(9) demethylase PHF8, is integral to key biological processes including cell cycle control, rDNA transcription, and neural development. By demethylating specific histone residues, PHF8 activates transcription and facilitates the G1-S transition in cell division, underscoring its role in gene expression regulation and cellular growth.

THERAPEUTIC SIGNIFICANCE:
Given its involvement in Intellectual developmental disorder, X-linked, syndromic, Siderius type, PHF8 represents a critical target for therapeutic intervention. The exploration of PHF8's functions offers promising avenues for developing treatments for this and potentially other related intellectual disability syndromes, emphasizing the need for advanced research in this area.

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