Focused On-demand Library for Glycylpeptide N-tetradecanoyltransferase 2

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.


We utilise our cutting-edge, exclusive workflow to develop focused 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.


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
O60551

UPID:
NMT2_HUMAN

ALTERNATIVE NAMES:
Myristoyl-CoA:protein N-myristoyltransferase 2; Peptide N-myristoyltransferase 2; Protein-lysine myristoyltransferase NMT2; Type II N-myristoyltransferase

ALTERNATIVE UPACC:
O60551; B0YJ49; Q53Y38; Q5VUC8; Q9BRB4

BACKGROUND:
The enzyme Glycylpeptide N-tetradecanoyltransferase 2, known for its alternative names such as Protein-lysine myristoyltransferase NMT2, is pivotal in the post-translational modification of proteins. It catalyzes the myristoylation of the N-terminal glycine and lysine residues, a modification essential for the proper function and localization of proteins including ARF6, which plays a significant role in cellular signaling and membrane trafficking.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Glycylpeptide N-tetradecanoyltransferase 2 offers a promising avenue for drug discovery. As it is integral to the process of protein myristoylation, which affects protein localization and function, targeting this enzyme could provide innovative therapeutic approaches for conditions related to protein mislocalization and signaling dysregulation.

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