Focused On-demand Library for Dual specificity protein phosphatase 8

Details

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.


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 top-notch dedicated system is used to design specialised 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
Q13202

UPID:
DUS8_HUMAN

ALTERNATIVE NAMES:
Dual specificity protein phosphatase hVH-5

ALTERNATIVE UPACC:
Q13202; Q86SS8

BACKGROUND:
The Dual specificity protein phosphatase 8, known alternatively as hVH-5, is characterized by its phosphatase activity towards synthetic phosphatase substrates. It serves as a crucial regulator of mitogen-activated protein kinase (MAPK) activity, likely through catalyzing the dephosphorylation of key residues including phosphotyrosine, phosphoserine, and phosphothreonine.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Dual specificity protein phosphatase 8 offers a promising avenue for identifying novel therapeutic approaches. Its regulatory effect on MAPK activity positions it as a key target in the quest for interventions in conditions marked by aberrant MAPK signaling.

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