AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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.

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 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

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, known by alternative names such as N-acetyltransferase 13 and NatE catalytic subunit, plays a pivotal role in protein modification. It acetylates the N-terminus of proteins retaining their initiating methionine and exhibits a broad substrate specificity. This enzyme is part of N-alpha-acetyltransferase complexes, significantly contributing to N-terminal acetylation at the ribosome exit tunnel. Its activity is crucial for the modification of various peptides, excluding those with a proline in the second position.

Therapeutic significance:

Understanding the role of N-alpha-acetyltransferase 50 could open doors to potential therapeutic strategies. Its involvement in protein acetylation underscores its importance in cellular processes, suggesting that targeting this enzyme could offer new avenues for drug discovery and development.

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