AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Chymase

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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. Our collaborator, Reaxense, aids in their synthesis and provision.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening 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.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P23946

UPID:

CMA1_HUMAN

Alternative names:

Alpha-chymase; Mast cell protease I

Alternative UPACC:

P23946; B5BUM8; Q16018; Q3SY36; Q3SY37; Q9UDH5

Background:

Chymase, also known as Alpha-chymase and Mast cell protease I, is a pivotal enzyme secreted by mast cells. It plays a crucial role in various physiological processes, including the generation of vasoactive peptides, degradation of the extracellular matrix, and regulation of gland secretion. Its unique enzymatic activities position it as a key player in the modulation of biological responses.

Therapeutic significance:

Understanding the role of Chymase could open doors to potential therapeutic strategies. Its involvement in critical biological pathways suggests that targeting Chymase could offer novel approaches for the treatment of diseases where mast cell activity is implicated.

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