Focused On-demand Library for Myotubularin-related protein 14

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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 utilise our cutting-edge, exclusive workflow to develop focused 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
Q8NCE2

UPID:
MTMRE_HUMAN

ALTERNATIVE NAMES:
HCV NS5A-transactivated protein 4 splice variant A-binding protein 1; hJumpy

ALTERNATIVE UPACC:
Q8NCE2; Q0JTH5; Q0JU83; Q6PIZ4; Q6QE21; Q86VK9; Q8IYK1; Q8TCM7; Q9H6C0

BACKGROUND:
The protein Myotubularin-related protein 14, with aliases such as hJumpy, serves as a lipid phosphatase, targeting phosphatidylinositol 3-phosphate and PtdIns(3,5)P2. Its enzymatic activity is crucial for maintaining cellular homeostasis, impacting processes like signal transduction and membrane dynamics. The protein is encoded by the MTMR14 gene and is known for its specificity towards certain phosphoinositides.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Myotubularin-related protein 14 could open doors to potential therapeutic strategies. Its association with centronuclear myopathy, a genetic muscle disorder, highlights its importance in muscle function and disease. The discovery of MTMR14 mutations in individuals with this myopathy provides a foundation for exploring therapeutic interventions that could alleviate or correct the underlying genetic and biochemical dysfunctions.

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