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

datacite.subject.fos oecd::Natural sciences
dc.contributor.author Tran Thi Ai My
dc.contributor.author Le Trung Hieu
dc.contributor.author Nguyen Thi Thanh Hai
dc.contributor.author Ton Nu My Phuong
dc.contributor.author Huynh Thi Phuong Loan
dc.contributor.author Bui Thi Phuong Thuy
dc.contributor.author Nguyen Thi Ai Nhung
dc.date.accessioned 2022-11-04T04:00:09Z
dc.date.available 2022-11-04T04:00:09Z
dc.date.issued 2020
dc.description.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).
dc.identifier.uri http://repository.vlu.edu.vn:443/handle/123456789/925
dc.language.iso en_US
dc.relation.ispartof Tạp chí Khoa học Đại học Huế: Khoa học Tự nhiên
dc.relation.issn 2615-9678
dc.subject natural essential oil
dc.subject antioxidant activity
dc.subject QSAR
dc.subject DPPH
dc.title Antioxidant activity of some natural essential oils in Vietnam: Comparison between QSAR simulation and experimental study
dc.type Resource Types::text::journal::journal article
dspace.entity.type Publication
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