AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Renin

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P00797

UPID:

RENI_HUMAN

Alternative names:

Angiotensinogenase

Alternative UPACC:

P00797; Q6FI38; Q6T5C2

Background:

Renin, also known as Angiotensinogenase, plays a pivotal role in the regulation of blood pressure and electrolyte balance. As a specific endopeptidase, its primary function is to catalyze the conversion of angiotensinogen to angiotensin I, initiating a series of reactions that elevate blood pressure and enhance sodium retention by the kidneys.

Therapeutic significance:

Given its crucial role in blood pressure regulation, Renin is directly implicated in renal tubular dysgenesis and autosomal dominant tubulointerstitial kidney disease. These conditions underscore the therapeutic potential of targeting Renin in managing renal disorders and hypertension, offering a promising avenue for drug discovery and development.

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