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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our high-tech, dedicated method is applied to construct targeted libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

It features thorough molecular simulations of the receptor within its native membrane environment, complemented by ensemble virtual screening that considers its conformational mobility. For dimeric or oligomeric receptors, the full functional complex is constructed, and tentative binding sites are determined on and between the subunits to cover the entire spectrum of potential mechanisms of action.


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
P32238

UPID:
CCKAR_HUMAN

ALTERNATIVE NAMES:
Cholecystokinin-1 receptor

ALTERNATIVE UPACC:
P32238; B2R9Z5

BACKGROUND:
Cholecystokinin receptor type A, alternatively named Cholecystokinin-1 receptor, is integral to various biological functions. It facilitates pancreatic growth, enzyme secretion, and the contraction of smooth muscles in the gall bladder and stomach. Notably, it has a 1000-fold higher affinity for CCK than for gastrin, playing a significant role in modulating feeding and dopamine-induced behavior across the nervous system. The receptor's action is mediated through G proteins that activate a phosphatidylinositol-calcium second messenger system.

THERAPEUTIC SIGNIFICANCE:
Exploring the Cholecystokinin receptor type A's function offers a promising avenue for developing new therapeutic approaches. Its critical role in managing physiological and behavioral processes highlights its potential as a target in treating diseases related to the pancreas, gastrointestinal system, and nervous system disorders.

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