AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Actin maturation protease

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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.

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

Reaxense

upacc

Q5BKX5

UPID:

ACTMP_HUMAN

Alternative names:

Actin aminopeptidase ACTMAP

Alternative UPACC:

Q5BKX5; A8MSZ5; B4DNU7

Background:

The Actin maturation protease, known as Actin aminopeptidase ACTMAP, plays a crucial role in actin maturation. It specifically mediates the cleavage of immature acetylated N-terminal actin, contributing significantly to the maturation of actin. This protease targets the N-terminal acetylated methionine of immature cytoplasmic beta- and gamma-actins ACTB and ACTG1, as well as the N-terminal acetylated cysteine of muscle alpha-actins ACTA1, ACTC1, and ACTA2.

Therapeutic significance:

Understanding the role of Actin maturation protease could open doors to potential therapeutic strategies. Its pivotal function in actin maturation underscores its potential as a target for therapeutic intervention in diseases where actin dynamics are disrupted.

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