Publication:
Antioxidant activity of some natural essential oils in Vietnam: Comparison between QSAR simulation and experimental study
Antioxidant activity of some natural essential oils in Vietnam: Comparison between QSAR simulation and experimental study
No Thumbnail Available
Files
Date
2020
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
Journal Title
Journal ISSN
Volume Title
Publisher
Research Projects
Organizational Units
Journal Issue
Abstract
Antioxidant activities of essential oils from leaves of Piper betle L. (T) and Cleistocalyx
operculatus L. (V), and aerial parts of Ageratum conyzoides L. (H) natively grown in Thua Thien Hue
province of Vietnam were investigated. Quantitative structure–activity relationship (QSAR) model
was constructed from the 27 compounds including 4-hydroxy-chromene-2H-one and its
derivatives. DPPH (1,1-diphenyl-2-picrylhydrazyl) radical scavenging activity was applied to
estimate the antioxidant property of these essential oils through IC50 (μg/mL) values. QSAR model
is used to predict the radical scavenging activity IC50 μg/mL of T, V, and H. The results indicate
that there is a good agreement between the experimental data and the predicted values using the
QSAR model. The three essential oils display the DPPH radical scavenging activities with the IC50
values being in the order of T > H > V of 3.71 μg/mL, 596.44 μg/mL and 637.03 μg/mL, respectively.
The essential oil of T exhibits the strong DPPH radical scavenging activity that is close to the
reference compound ascorbic acid (IC50 value of 3.03 μg /mL).
Description
Keywords
natural essential oil,
antioxidant activity,
QSAR,
DPPH