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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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.

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

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.