Focused On-demand Library for Activated CDC42 kinase 1

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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q07912

UPID:
ACK1_HUMAN

ALTERNATIVE NAMES:
Tyrosine kinase non-receptor protein 2

ALTERNATIVE UPACC:
Q07912; Q6ZMQ0; Q8N6U7; Q96H59

BACKGROUND:
The protein Activated CDC42 kinase 1, alternatively named Tyrosine kinase non-receptor protein 2, is crucial for cell signaling, impacting cell migration, survival, and proliferation. It phosphorylates several important molecules including AKT1 and EGFR, playing a role in endocytosis and cell signaling. Its regulatory effect on tumor suppressors and pro-survival factors marks it as a key player in cellular dynamics and potentially in cancer progression.

THERAPEUTIC SIGNIFICANCE:
The exploration of Activated CDC42 kinase 1's functions offers promising avenues for therapeutic intervention. By delving into its regulatory mechanisms, researchers can identify novel strategies to influence its activity, paving the way for breakthrough treatments in diseases where it's implicated.

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