Focused On-demand Library for Glycylpeptide N-tetradecanoyltransferase 2

Focused On-demand Libraries - Reaxense 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 our associate 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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening 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

Reaxense

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:

Glycylpeptide N-tetradecanoyltransferase 2, also known as Myristoyl-CoA:protein N-myristoyltransferase 2, plays a crucial role in cellular and viral protein modification. It is responsible for adding a myristoyl group to the N-terminal glycine residue of specific proteins, enhancing their function and interaction within the cell. This enzyme also mediates N-terminal lysine myristoylation, crucial for maintaining proteins like ARF6 on membranes during their activity cycle.

Therapeutic significance:

Understanding the role of Glycylpeptide N-tetradecanoyltransferase 2 could open doors to potential therapeutic strategies. Its involvement in protein modification and membrane association highlights its importance in cellular functions, suggesting that targeting this enzyme could lead to novel treatments for diseases where protein mislocalization or dysfunction is a factor.