Focused On-demand Library for N-alpha-acetyltransferase 80

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our high-tech, dedicated method is applied to construct targeted 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

Q93015

UPID:

NAA80_HUMAN

Alternative names:

N-acetyltransferase 6; Protein fusion-2

Alternative UPACC:

Q93015; Q93014

Background:

N-alpha-acetyltransferase 80, also known as N-acetyltransferase 6 and Protein fusion-2, plays a pivotal role in the post-translational modification of proteins. It specifically mediates the acetylation of the acidic amino terminus of processed forms of beta- and gamma-actin, crucial for actin filament dynamics. This enzyme's activity is directed towards acid N-terminal sequences, showcasing a preference for sequences starting with Asp-Asp-Asp and Glu-Glu-Glu in vivo, and exhibits high activity towards Met-Asp-Glu-Leu and Met-Asp-Asp-Asp in vitro.

Therapeutic significance:

Understanding the role of N-alpha-acetyltransferase 80 could open doors to potential therapeutic strategies. Its involvement in actin filament regulation and potential tumor suppressor function highlights its significance in cellular processes and disease mechanisms.