Ep-CAM (epithelial cell adhesion molecule) is a type I transmembrane glycoprotein that was initially identified as a tumor-associated antigen due to its high expression in rapidly growing epithelial tumors. EpCAM is involved in various biological processes such as cell adhesion, signal transduction, migration and proliferation. Studies have found that Ep-CAM molecules are widely expressed in epithelial-derived tissues and have the function of mediating calcium-independent adhesion between homoepithelial cells. The intensity of Ep-CAM expression in many malignant hyperplastic epithelial tumors far exceeds that of normal tissues. Malignant tumor tissues not only highly express Ep-CAM molecules, but also the number and positive degree of Ep-CAM positive cells are closely related to the degree of tumor development. A large number of clinical data studies have shown that most of the epithelial-derived tumor tissues are expressed in the vast majority of molecules, including gastric and colorectal tumors, breast cancer, ovarian cancer, pancreatic cancer, lung cancer and prostate cancer, etc. The overwhelming positive rates are at or close to 100%. Therefore, targeting Ep-CAM as the direction of drug development for the treatment of cancer is an excellent choice in the field of cancer therapy.

Our Services

• Targeted Protein Structural Analysis

The structure of the binding site of EP-CAM molecule was obtained by X-ray single crystal diffraction technique or 3D structure simulation of the existing homologous molecule;

• Analysis of Target Protein Properties

Use molecular simulation software to analyze the structural properties of the binding site, such as electrostatic field, hydrophobic field, hydrogen bonding site distribution and other information;

• Lead Candidate Search

Use database search or new drug molecule design technology to identify molecules whose molecular shape and physicochemical properties match the EP-CAM action site;

• Candidate Compound Validation

Synthesize and test the biological activity of these molecules, and after several cycles, new lead compounds can be discovered.

Our Advantage

• Use DRID, GREEN, HSITE and other active site analysis software, combined with software based on Monte Carlo and simulated annealing technology to quickly and accurately find atoms or groups that interact well with the active site of biological macromolecules;
• Flexible selection of ligand-based (commonly used software such as Catalyst and Unity, etc.) and receptor-based (commonly used software such as DOCK, F1exX and GOLD, etc.) search methods for database search;
• For cases where suitable lead compounds cannot be found in the compound database, we can design new compounds through software such as LUDI, Leapfrog, GROW, SPROU and LigBuilder.

Our Capabilities

Figure 1. The Computer-Aided Drug Discovery Process. (Ahmad F Eweas, et al.; 2014)

In each therapeutic area, CD ComputaBio has accumulated deep expertise in discovery informatics, computational chemistry/molecular modeling, medicinal chemistry, structural biology, in vivo and in vitro pharmacology, and translational science. During the drug discovery process, our team focuses on early lead compounds in different target classes and uses a wide range of techniques, including molecular screening, molecular modeling, medicinal chemistry, structural biology, bioinformatics and computational chemistry, to identify new target the direction of drug development, and then select suitable drug candidates through low-cost, high-efficiency computer simulations to ensure high efficiency and low risk in the later drug development process. Our computational biology team has extensive experience in the research of EP-CAM targets. Please consult our professional team for details.

References

1. Baeuerle PA, Gires O. EpCAM (CD326) finding its role in cancer. Br J Cancer. 2007, 96(3):417-23.
2. Schnell U, et al.; EpCAM: structure and function in health and disease. Biochim Biophys Acta. 2013,1828(8):1989-2001.
3. Ahmad F Eweas, et al.; Advances in molecular modeling and docking as a tool for modern drug discovery. Der Pharma Chemica. 2014, 6(6):211-228.