Focused On-demand Library for Leucine carboxyl methyltransferase 1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Q9UIC8

UPID:
LCMT1_HUMAN

ALTERNATIVE NAMES:
Protein-leucine O-methyltransferase; [Phosphatase 2A protein]-leucine-carboxy methyltransferase 1

ALTERNATIVE UPACC:
Q9UIC8; A6NL89; A8K770; Q53FC5; Q96CI5; Q9H6I9; Q9NTG4; Q9Y378

BACKGROUND:
Leucine carboxyl methyltransferase 1, with its alternative names Protein-leucine O-methyltransferase and [Phosphatase 2A protein]-leucine-carboxy methyltransferase 1, is pivotal in post-translational modifications. It specifically methylates the C-terminal leucine residue of protein phosphatase 2A catalytic subunits, creating alpha-leucine ester residues, a key step in regulating its activity.

THERAPEUTIC SIGNIFICANCE:
The exploration of Leucine carboxyl methyltransferase 1's function offers a pathway to novel therapeutic avenues. Given its critical role in the methylation process essential for protein phosphatase 2A's regulation, targeting this enzyme could lead to innovative treatments that modulate this pathway for disease intervention.

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