Focused On-demand Library for Chymase

Focused On-demand Libraries - Receptor.AI 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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P23946

UPID:
CMA1_HUMAN

ALTERNATIVE NAMES:
Alpha-chymase; Mast cell protease I

ALTERNATIVE UPACC:
P23946; B5BUM8; Q16018; Q3SY36; Q3SY37; Q9UDH5

BACKGROUND:
Chymase, identified by its alternative names Alpha-chymase and Mast cell protease I, is a major secreted protease of mast cells. It is suspected to have roles in the generation of vasoactive peptides, extracellular matrix degradation, and the regulation of gland secretion. The enzyme's activity is essential for various biological functions, making it a significant subject of study in the field of biochemistry and molecular biology.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Chymase presents an opportunity to uncover new therapeutic avenues. Given its critical roles in several physiological processes, targeting Chymase could lead to the development of innovative treatments for conditions associated with mast cell functions.

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