Focused On-demand Library for N-alpha-acetyltransferase 50

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q9GZZ1

UPID:

NAA50_HUMAN

Alternative names:

N-acetyltransferase 13; N-acetyltransferase 5; N-acetyltransferase san homolog; N-epsilon-acetyltransferase 50; NatE catalytic subunit

Alternative UPACC:

Q9GZZ1; D3DN74; Q68DQ1

Background:

N-alpha-acetyltransferase 50, known by alternative names such as N-acetyltransferase 13 and NatE catalytic subunit, plays a pivotal role in protein modification. It acetylates the N-terminus of proteins retaining their initiating methionine and exhibits a broad substrate specificity. This enzyme is part of N-alpha-acetyltransferase complexes, significantly contributing to N-terminal acetylation at the ribosome exit tunnel. Its activity is crucial for the modification of various peptides, excluding those with a proline in the second position.

Therapeutic significance:

Understanding the role of N-alpha-acetyltransferase 50 could open doors to potential therapeutic strategies. Its involvement in protein acetylation underscores its importance in cellular processes, suggesting that targeting this enzyme could offer new avenues for drug discovery and development.