Focused On-demand Library for Renin

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 utilise our cutting-edge, exclusive workflow to develop 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
P00797

UPID:
RENI_HUMAN

ALTERNATIVE NAMES:
Angiotensinogenase

ALTERNATIVE UPACC:
P00797; Q6FI38; Q6T5C2

BACKGROUND:
The enzyme Renin, alternatively known as Angiotensinogenase, is central to the renin-angiotensin system, orchestrating the regulation of blood pressure and sodium balance. Its exclusive activity involves the generation of angiotensin I from angiotensinogen, a precursor that sets off a cascade leading to increased blood pressure and sodium retention.

THERAPEUTIC SIGNIFICANCE:
Renin's involvement in critical renal diseases, such as renal tubular dysgenesis and autosomal dominant tubulointerstitial kidney disease, highlights its significance in the pathophysiology of hypertension and kidney dysfunction. Targeting Renin through innovative therapeutic strategies holds the potential to revolutionize the treatment of these debilitating conditions.

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