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

Details

Focused On-demand Libraries - Receptor.AI 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.


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


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 employ our advanced, specialised process to create targeted 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.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
Q93015

UPID:
NAA80_HUMAN

ALTERNATIVE NAMES:
N-acetyltransferase 6; Protein fusion-2

ALTERNATIVE UPACC:
Q93015; Q93014

BACKGROUND:
The enzyme N-alpha-acetyltransferase 80, known alternatively as N-acetyltransferase 6 and Protein fusion-2, is integral to the acetylation of the acidic amino terminus of beta- and gamma-actin. This modification is vital for the regulation of actin filament depolymerization and elongation. The enzyme's specificity towards acid N-terminal sequences, particularly those starting with Asp-Asp-Asp and Glu-Glu-Glu, underscores its critical role in protein processing.

THERAPEUTIC SIGNIFICANCE:
The exploration of N-alpha-acetyltransferase 80's function offers a promising avenue for therapeutic intervention. Its capacity to regulate actin dynamics and its suggested role as a tumor suppressor make it a compelling target for drug discovery efforts.

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