Focused On-demand Library for Myotubularin-related protein 3

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 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.


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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q13615

UPID:
MTMR3_HUMAN

ALTERNATIVE NAMES:
FYVE domain-containing dual specificity protein phosphatase 1; Phosphatidylinositol-3,5-bisphosphate 3-phosphatase; Phosphatidylinositol-3-phosphate phosphatase; Zinc finger FYVE domain-containing protein 10

ALTERNATIVE UPACC:
Q13615; A5PL26; A7MD32; Q9NYN5; Q9NYN6; Q9UDX6; Q9UEG3

BACKGROUND:
The protein Myotubularin-related protein 3, known for its phosphatase activity towards specific phosphoinositides, is a key player in regulating lipid signaling pathways. It acts on phosphatidylinositol 3-phosphate and phosphatidylinositol 3,5-bisphosphate, and potentially dephosphorylates proteins on Ser, Thr, and Tyr residues. This activity is crucial for maintaining cellular function and is encoded by the gene with UniProt ID Q13615.

THERAPEUTIC SIGNIFICANCE:
The exploration of Myotubularin-related protein 3's function in lipid signaling offers promising avenues for therapeutic intervention. Its critical role in cellular signaling pathways underscores its potential as a novel target in the development of targeted therapies.

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