Focused On-demand Libraries - Receptor.AI Collaboration


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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. 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.


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


 

Fig. 1. The screening 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.


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
Q15652

UPID:
JHD2C_HUMAN

ALTERNATIVE NAMES:
Jumonji domain-containing protein 1C; Thyroid receptor-interacting protein 8

ALTERNATIVE UPACC:
Q15652; A0T124; Q5SQZ8; Q5SQZ9; Q5SR00; Q7Z3E7; Q8N3U0; Q96KB9; Q9P2G7

BACKGROUND:
Jumonji domain-containing protein 1C, recognized for its probable histone demethylase activity, specifically targets 'Lys-9' on histone H3, generating formaldehyde and succinate. This biochemical activity is crucial for the regulation of gene expression, particularly in the context of hormone-responsive genes, suggesting a significant role in cellular transcription mechanisms.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Jumonji domain-containing protein 1C offers a promising pathway to uncover novel therapeutic approaches.

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