Open AccessAntioxidant activity of some natural essential oils in Vietnam: Comparison between QSAR simulation and experimental study
Author(s) -
Tran Thi Ai My,
Lê Trung Hiếu,
Nguyen Thi Thanh Hai,
Tôn Nữ Mỹ Phương,
Huynh Thi Phuong Loan,
Bùi Thị Phương Thuý,
Nguyen Thi Ai Nhung
Publication year - 2020
Publication title -
tạp chí khoa học đại học huế: khoa học tự nhiên/tạp chí khoa học đại học huế: khoa học tự nhiên (online)
Language(s) - English
Resource type - Journals
eISSN - 2615-9678
pISSN - 1859-1388
DOI - 10.26459/hueuni-jns.v129i1d.5800
Subject(s) - quantitative structure–activity relationship , dpph , antioxidant , ascorbic acid , piper , chemistry , ageratum conyzoides , ic50 , traditional medicine , stereochemistry , organic chemistry , food science , botany , biology , biochemistry , medicine , in vitro , weed
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).