Identification of antiproliferative emodin analogues as inhibitors of epidermal growth factor receptor in cancer

• Published in: International journal of molecular medicine Vol. 43; no. 3; pp. 1281 - 1288
• Main Authors: Chen, Kuan-Chung, Juang, Shin-Hun, Lien, Jin-Cherng
• Format: Journal Article
• Language: English
• Published: Greece Spandidos Publications 01.03.2019; Spandidos Publications UK Ltd; D.A. Spandidos
• Subjects: Anthraquinones; Binding Sites; Cancer; Care and treatment; Emodin - analogs & derivatives; Emodin - chemistry; Emodin - pharmacology; Epidermal growth factor; ErbB Receptors - antagonists & inhibitors; ErbB Receptors - chemistry; Gene expression; Health aspects; Humans; Hydrogen Bonding; Hydrophobic and Hydrophilic Interactions; Inhibitory Concentration 50; Kinases; Ligands; Models, Molecular; Molecular Structure; Mutation; Neoplasms - genetics; Neoplasms - metabolism; Phosphorylation; Protein Binding; Protein Kinase Inhibitors - chemistry; Protein Kinase Inhibitors - pharmacology; Proteins; Quantitative Structure-Activity Relationship; Simulation; United States > US

A series of emodin analogues have been demonstrated to exhibit potent antiproliferative activity in three human epidermal growth factor receptor 2 (HER2)‑overexpressing cell lines. However, in docking simulations, not all of these emodin analogues docked into the HER2 protein binding site. As the ep...