Antioxidant activity of some natural essential oils in Vietnam: Comparison between QSAR simulation and experimental study

• Main Authors: Tran Thi Ai My, Le Trung Hieu, Nguyen Thi Thanh Hai, Ton Nu My Phuong, Huynh Thi Phuong Loan, Bui Thi Phuong Thuy, Nguyen Thi Ai Nhung
• Format: Article
• Language: English
• Published: HUJOS 2020-06-01
• Series: Tạp chí Khoa học Đại học Huế: Khoa học Tự nhiên
• Subjects: key words; natural essential oil; antioxidant activity; qsar; dpph.
• Online Access: http://jos.hueuni.edu.vn/index.php/HUJOS-NS/article/view/5800
• ISSN: 1859-1388; 2615-9678

The antioxidant activity of essential oils from leaves of Piper betle L. (T) and Cleistocalyx operculatus L. (V) and aerial parts of Ageratum conyzoides L. (H), indigenously grown in Thua Thien Hue province, Vietnam, is investigated. The quantitative structure–activity relationship (QSAR) model comprising 4-hydroxy-chromene-2H-one and its 26 derivatives is used to predict the radical scavenging activity of T, V, and H. The radical scavenging activity of the oils is experimentally determined with DPPH (1,1-diphenyl-2-picrylhydrazyl) via IC50 values. The experimental IC50 values are in good agreement with those obtained from the QSAR model. The IC50 value of Piper betle L. is 3.71 mg/mL, comparable to that of the strong antioxidant ascorbic acid (3.03 mg /mL).