Focused On-demand Library for Glycylpeptide N-tetradecanoyltransferase 1

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

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.


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
P30419

UPID:
NMT1_HUMAN

ALTERNATIVE NAMES:
Myristoyl-CoA:protein N-myristoyltransferase 1; Peptide N-myristoyltransferase 1; Protein-lysine myristoyltransferase NMT1

ALTERNATIVE UPACC:
P30419; A8K7C1; Q9UE09

BACKGROUND:
Protein-lysine myristoyltransferase NMT1, with alternative names including Peptide N-myristoyltransferase 1, is pivotal in cellular dynamics through its enzymatic activity of myristoylation. This process is critical for the localization and function of proteins like ARF6, affecting their cycle on membranes. The enzyme's unique ability to target both glycine and lysine residues for myristoylation underscores its significance in protein modification pathways.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Protein-lysine myristoyltransferase NMT1 unveils new avenues for drug discovery, highlighting its potential in developing novel therapeutic interventions.

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