Focused On-demand Library for Serine/threonine-protein kinase Nek10

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.


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.


Our top-notch dedicated system is used to design specialised 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
Q6ZWH5

UPID:
NEK10_HUMAN

ALTERNATIVE NAMES:
Never in mitosis A-related kinase 10

ALTERNATIVE UPACC:
Q6ZWH5; A8MWG1; B9ZVR0; Q45VJ4; Q6ZR11; Q7Z671; Q86XB1; Q96MB3

BACKGROUND:
The Serine/threonine-protein kinase Nek10, alternatively named Never in mitosis A-related kinase 10, is integral to the body's defense against UV damage, facilitating crucial processes such as G2/M cell cycle arrest and ERK1/2 pathway activation. Its role extends to the regulation of mucociliary transport in airway ciliated cells, a critical function for clearing pathogens and debris from the respiratory tract.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in primary ciliary dyskinesia, particularly in the form of Ciliary dyskinesia, primary, 44, Serine/threonine-protein kinase Nek10 represents a significant target for therapeutic intervention. The disease's link to defects in respiratory cilia, leading to severe respiratory infections, positions Nek10 as a key player in developing treatments for ciliary dysfunctions.

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