Focused On-demand Library for Archaemetzincin-1

Details

Focused On-demand Libraries - Receptor.AI 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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
Q400G9

UPID:
AMZ1_HUMAN

ALTERNATIVE NAMES:
Archeobacterial metalloproteinase-like protein 1

ALTERNATIVE UPACC:
Q400G9; B3KRS0; Q8TF51

BACKGROUND:
The protein Archaemetzincin-1, alternatively known as Archeobacterial metalloproteinase-like protein 1, functions as a probable zinc metalloprotease. This suggests its role in the proteolytic breakdown of proteins, an essential mechanism in cellular regulation and signaling. The exploration of its structure and enzymatic activity is crucial for understanding its biological significance.

THERAPEUTIC SIGNIFICANCE:
Investigating Archaemetzincin-1's function offers a promising pathway to uncovering new therapeutic approaches. Given its classification as a metalloprotease, it may play pivotal roles in physiological and pathological processes, making it a target of interest for drug discovery efforts aimed at modulating protease activity.

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