AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Cadherin-1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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 protein-protein interfaces.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes extensive molecular simulations of the target protein alone and in complex with its most relevant partner proteins, followed by ensemble virtual screening that considers conformational mobility in both free and complex states. Potential binding pockets are examined on the protein-protein interaction interface and in distant allosteric sites to cover all 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

Reaxense

upacc

P12830

UPID:

CADH1_HUMAN

Alternative names:

CAM 120/80; Epithelial cadherin; Uvomorulin

Alternative UPACC:

P12830; A8K1U7; Q13799; Q14216; Q15855; Q16194; Q4PJ14; Q9UII8

Background:

Cadherin-1, also known as Epithelial cadherin and Uvomorulin, is a pivotal protein in cell adhesion, playing a crucial role in epithelial cell proliferation and mobility. It operates as a calcium-dependent adhesion molecule, facilitating cell-cell interactions and contributing to the sorting of cell types. Cadherin-1's ability to suppress invasive growth underscores its significance in maintaining tissue architecture and cellular integrity.

Therapeutic significance:

Cadherin-1's mutation or dysfunction is linked to a spectrum of diseases, including Diffuse gastric and lobular breast cancer syndrome, Endometrial cancer, Ovarian cancer, and Lobular breast cancer. Its role in these conditions, particularly through heterozygous CDH1 germline mutations, highlights its potential as a target for therapeutic intervention. Understanding Cadherin-1's mechanisms could lead to breakthroughs in treating these malignancies.

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