AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Chymotrypsin-like elastase family member 3A

Available from Reaxense
Predicted by Alphafold

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 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P09093

UPID:

CEL3A_HUMAN

Alternative names:

Elastase IIIA; Elastase-3A; Protease E

Alternative UPACC:

P09093; B1AQ53; Q9BRW4

Background:

Chymotrypsin-like elastase family member 3A, known alternatively as Elastase IIIA, Elastase-3A, and Protease E, is characterized by its efficient protease activity with a preference for alanine. Despite its name, it exhibits limited elastolytic activity, distinguishing it from other elastases in its family.

Therapeutic significance:

Understanding the role of Chymotrypsin-like elastase family member 3A could open doors to potential therapeutic strategies. Its unique substrate specificity suggests it could be a target for designing novel inhibitors or activators to modulate its activity in disease contexts.

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