AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Alpha-tubulin N-acetyltransferase 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

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

Q5SQI0

UPID:

ATAT_HUMAN

Alternative names:

Acetyltransferase mec-17 homolog

Alternative UPACC:

Q5SQI0; A2AB28; Q3LIB0; Q5JP39; Q5JP40; Q5JP42; Q5SQI1; Q5SU03; Q86X42; Q8NDK9; Q9BRS1; Q9H8X5

Background:

Alpha-tubulin N-acetyltransferase 1, also known as Acetyltransferase mec-17 homolog, plays a pivotal role in microtubule dynamics by specifically acetylating 'Lys-40' in alpha-tubulin. This acetylation promotes microtubule destabilization and accelerates their dynamics, crucial for cellular processes such as sperm flagellar function, cell locomotion, and chemotaxis. Its unique mechanism involves entering microtubules from each end, diffusing quickly, and selectively acetylating long/old microtubules.

Therapeutic significance:

Understanding the role of Alpha-tubulin N-acetyltransferase 1 could open doors to potential therapeutic strategies, especially in conditions where microtubule dynamics are disrupted.

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