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:
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.