Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 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 use our state-of-the-art dedicated workflow for designing focused libraries for receptors.


 

Fig. 1. The screening workflow of Receptor.AI

It includes extensive molecular simulations of the receptor in its native membrane environment and the ensemble virtual screening accounting for its conformational mobility. In the case of dimeric or oligomeric receptors, the whole functional complex is modelled, and the tentative binding pockets are determined on and between the subunits to cover the whole spectrum of possible 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
P08235

UPID:
MCR_HUMAN

ALTERNATIVE NAMES:
Nuclear receptor subfamily 3 group C member 2

ALTERNATIVE UPACC:
P08235; B0ZBF5; B0ZBF7; Q2NKL1; Q96KQ8; Q96KQ9

BACKGROUND:
Known alternatively as Nuclear receptor subfamily 3 group C member 2, the Mineralocorticoid Receptor is integral to the body's fluid and electrolyte homeostasis. By binding to mineralocorticoid response elements, it transactivates genes that control extracellular fluid volume, blood pressure, and potassium levels.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of the Mineralocorticoid Receptor could open doors to potential therapeutic strategies for diseases like Pseudohypoaldosteronism 1, autosomal dominant, and Early-onset hypertension with severe exacerbation in pregnancy, by modulating its function.

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