Focused On-demand Library for Dual specificity protein phosphatase 9

Details

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is 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.


We employ our advanced, specialised process to create 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
Q99956

UPID:
DUS9_HUMAN

ALTERNATIVE NAMES:
Mitogen-activated protein kinase phosphatase 4

ALTERNATIVE UPACC:
Q99956; D3DWU5

BACKGROUND:
The protein known as Dual specificity protein phosphatase 9, or Mitogen-activated protein kinase phosphatase 4, is integral to the deactivation of MAP kinases, with a preference for the ERK family. This specificity underscores its importance in the regulation of key signaling pathways that control various cellular functions, including proliferation and stress responses.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Dual specificity protein phosphatase 9 offers a promising avenue for the development of new therapeutic interventions. Given its central role in modulating MAP kinase pathways, which are critical in many physiological and pathological processes, DUSP9 represents a potential target for therapeutic modulation to correct pathway imbalances in diseases.

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