Focused On-demand Library for Insulin-degrading enzyme

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

Our top-notch dedicated system is used to design specialised 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.

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

Reaxense

upacc

P14735

UPID:

IDE_HUMAN

Alternative names:

Abeta-degrading protease; Insulin protease; Insulysin

Alternative UPACC:

P14735; B2R721; B7ZAU2; D3DR35; Q5T5N2

Background:

The Insulin-degrading enzyme, also known as Insulysin or Abeta-degrading protease, plays a pivotal role in the cellular breakdown of various peptides including insulin, APP peptides, and natriuretic peptides. Its ability to bind and degrade larger substrates like insulin is facilitated by substrate-induced conformational changes. This enzyme is crucial in regulating peptide hormone signaling cascades and blood glucose homeostasis.

Therapeutic significance:

Understanding the role of Insulin-degrading enzyme could open doors to potential therapeutic strategies. Its involvement in the degradation of amyloidogenic peptides and regulation of peptide hormones highlights its potential as a target in treating diabetes and Alzheimer's disease.