Focused On-demand Library for Mitogen-activated protein kinase kinase kinase 20

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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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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
Q9NYL2

UPID:
M3K20_HUMAN

ALTERNATIVE NAMES:
Human cervical cancer suppressor gene 4 protein; Leucine zipper- and sterile alpha motif-containing kinase; MLK-like mitogen-activated protein triple kinase; Mitogen-activated protein kinase kinase kinase MLT; Mixed lineage kinase 7; Mixed lineage kinase-related kinase; Sterile alpha motif- and leucine zipper-containing kinase AZK

ALTERNATIVE UPACC:
Q9NYL2; B3KPG2; Q53SX1; Q580W8; Q59GY5; Q86YW8; Q9HCC4; Q9HCC5; Q9HDD2; Q9NYE9

BACKGROUND:
The protein Mitogen-activated protein kinase kinase kinase 20, also known as MAP3K20, acts as a critical sensor and effector in the cellular response to environmental and physiological stress, leading to activation of cell death or survival pathways. Its ability to differentiate between levels of ribosome collisions and trigger appropriate cellular responses underscores its complex regulatory role.

THERAPEUTIC SIGNIFICANCE:
Given MAP3K20's central role in diseases such as split-foot malformation with mesoaxial polydactyly and centronuclear myopathy, targeting this kinase could offer novel therapeutic avenues. Its multifaceted role in biological systems makes it an intriguing subject for scientific inquiry and drug development.

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