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

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 use our state-of-the-art dedicated workflow for designing 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.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
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, also referred to as N-acetyltransferase 5 or N-epsilon-acetyltransferase 50, is integral to protein acetylation, affecting the N-terminus of proteins. It operates within N-alpha-acetyltransferase complexes, including NAA10 and NAA15, to mediate acetylation at the ribosome exit tunnel. Despite its broad substrate specificity, it does not acetylate peptides with proline at the second position, highlighting its selective nature in protein modification.

THERAPEUTIC SIGNIFICANCE:
The exploration of N-alpha-acetyltransferase 50's function illuminates its potential in therapeutic applications. As a key player in protein acetylation, targeting this enzyme could lead to innovative treatments, emphasizing the importance of further research in this area.

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