tailieunhanh - Nghiên cứu tác dụng ức chế thụ thể EGFR và HER2 của các hợp chất trong dược liệu Hy thiêm (Siegesbeckia orientalis L.) định hướng điều trị ung thư

Bài viết Nghiên cứu tác dụng ức chế thụ thể EGFR và HER2 của các hợp chất trong dược liệu Hy thiêm (Siegesbeckia orientalis L.) định hướng điều trị ung thư được nghiên cứu nhằm đánh giá khả năng ức chế hai thụ thể EGFR và HER2 của các hợp chất từ dược liệu Hy thiêm (Siegesbeckia orientalis L.) bằng phương pháp docking phân tử. | VNU Journal of Science Medical and Pharmaceutical Sciences Vol. 38 No. 2 2022 43-55 Original Article Study the EGFR and HER2 Receptors Inhibitory Effect of Compounds in Siegesbeckia orientalis L. for Supporting Cancer Treatment Do Thi Hang1 Tran Hoang Mai2 Le Thi Huong2 Do Thi Hong Khanh2 Nguyen Thi Thuy2 Nguyen Van Khoi3 Nguyen Thi Thanh Binh2 Bui Thanh Tung2 1 Phuc Yen Region General Hospital Group 1 Hung Vuong Phuc Yen Vinh Phuc Vietnam 2 VNU University of Medicine and Pharmacy 144 Xuan Thuy Cau Giay Hanoi Vietnam 3 Military Hospital 103 261 Phung Hung Phuc La Ha Dong Hanoi Vietnam Received 13 April 2022 Revised 23 May 2022 Accepted 25 May 2022 Abstract Epidermal growth factor receptor EGFR and Human epithelium receptor 2 HER2 are important targets in cancer treatment such as lung cancer breast cancer. Siegesbeckia orientalis L. is a medicinal plant that has the ability to inhibit the proliferation of cancer cells. In this study we evaluated the ability to inhibit EGFR and HER2 receptors of compounds from the Siegesbeckia orientalis L. by molecular docking method. Based on the published phytochemicals of Siegesbeckia orientalis L. we have collected 50 isolated compounds. Molecular docking results showed that the ability to inhibit EGFR was higher than erlotinib with 34 compounds higher than icotinib with 7 compounds higher than almonertinib with 21 compounds and higher than olmutinib with 3 compounds 4 compounds with higher ability to inhibit HER2 than neratinib and 4 compounds may inhibit both EGFR and HER2 receptors simultaneously. Analysis of Lipinski s rule of five and predicting pharmacokinetic - toxicological parameters we obtained two compounds that have drug- like properties. Therefore these two compounds have the potential to be drugs that inhibit EGFR and HER2 receptors for cancer treatment and need to be studied further. Keywords EGFR HER2 Molecular docking Siegesbeckia orientalis L. _ Corresponding author. E-mail address https