Focused On-demand Library for N-alpha-acetyltransferase 40

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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q86UY6

UPID:

NAA40_HUMAN

Alternative names:

N-acetyltransferase 11; N-alpha-acetyltransferase D; Protein acetyltransferase 1

Alternative UPACC:

Q86UY6; B4DR03; B4DU10; Q5HYL5; Q9H897

Background:

N-alpha-acetyltransferase 40, also known as N-acetyltransferase 11 and Protein acetyltransferase 1, plays a pivotal role in the post-translational modification of proteins. It specifically mediates the acetylation of histones H4 and H2A, recognizing the 'Ser-Gly-Arg-Gly' sequence. This enzyme's unique selectivity for the N-terminus of histones H4 and H2A distinguishes it from other N-alpha-acetyltransferases, highlighting its critical role in chromatin structure and gene expression.

Therapeutic significance:

Understanding the role of N-alpha-acetyltransferase 40 could open doors to potential therapeutic strategies. Its involvement in the negative regulation of apoptosis and potential role in hepatic lipid metabolism suggests avenues for research in cancer therapy and metabolic disorders.