Focused On-demand Library for Acidic mammalian chitinase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


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
Q9BZP6

UPID:
CHIA_HUMAN

ALTERNATIVE NAMES:
Lung-specific protein TSA1902

ALTERNATIVE UPACC:
Q9BZP6; Q32W79; Q32W80; Q3B866; Q5U5Z5; Q5VUV4; Q86UD8; Q9ULY3; Q9ULY4

BACKGROUND:
The protein Acidic mammalian chitinase, alternatively named Lung-specific protein TSA1902, is integral to the body's defense against pathogens by breaking down chitin. It is involved in the Th2 immune response and plays a role in inflammation and cell survival, particularly in the lungs, by stimulating chemokine production and preventing apoptosis. Its activity is modulated by carbohydrate binding, which can be inhibited by allosamidin.

THERAPEUTIC SIGNIFICANCE:
The exploration of Acidic mammalian chitinase's functions offers promising avenues for therapeutic intervention. Its critical role in immune responses and cell survival mechanisms positions it as a potential target for developing treatments for inflammatory lung diseases and enhancing our understanding of immune system regulation.

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