Focused On-demand Library for Histone-lysine N-methyltransferase SETD7

Focused On-demand Libraries - Receptor.AI Collaboration


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. 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 screening 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.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
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:
SET domain-containing protein 7, recognized for its unique ability to monomethylate 'Lys-4' of histone H3, is central to the transcriptional activation of genes pivotal for cellular function and response to environmental cues. Its activity extends to non-histone proteins, including p53/TP53 and TAF10, enhancing their stability and interaction with essential transcriptional machinery. This multifunctional enzyme's role in epigenetic regulation underscores its importance in gene expression and cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Exploring the multifaceted functions of SET domain-containing protein 7 offers a promising avenue for the development of novel therapeutic interventions.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


Page 8522 of 8789