The radical scavenging activity of abietane diterpenoids: Theoretical insights.

Abietanes Antioxidants Diterpenes Salvia
Abietane diterpenoids Antioxidants Kinetics Radical scavenging Rate constants

Journal

Journal of molecular graphics & modelling
ISSN: 1873-4243
Titre abrégé: J Mol Graph Model
Pays: United States
ID NLM: 9716237

Informations de publication

Date de publication:
06 2021
Historique:
received: 05 12 2020
revised: 15 01 2021
accepted: 01 03 2021
pubmed: 21 3 2021
medline: 22 6 2021
entrez: 20 3 2021
Statut: ppublish

Résumé

Salvia species are frequently used in traditional medicine and are a source of diterpenoid antioxidants. In this study, the hydroperoxide radical scavenging activity of seven known abietane diterpenoids (ADs), isolated from Salvia barrelieri, are investigated using a quantum chemical approach. The ADs are 7-oxoroyleanone-12-methyl ether (1), 7a-acetoxyroyleanone-12-methyl ether (2), royleanone (3), horminone (4), 7-acetylhorminone (5), cryptojaponol (6), and inuroyleanol (7). It was found that formal hydrogen transfer is the main mechanism of the antiradical activity of these ADs in nonpolar environments, whereas the single electron transfer mechanism of anion states is favored in aqueous environment. The antioxidant activity of compounds 1-5 involves H-abstraction at the C7(15)-H bonds whereas for the compounds 6 and 7 the H abstraction takes place at the O12-H bond. The HOO

Identifiants

DOI: 10.1016/j.jmgm.2021.107892 PMID: 33743519
pubmed: 33743519
pii: S1093-3263(21)00061-9
doi: 10.1016/j.jmgm.2021.107892
pii:
doi:

Substances chimiques

Abietanes 0
Antioxidants 0
Diterpenes 0

Types de publication

Journal Article Research Support, Non-U.S. Gov't

Langues

eng

Sous-ensembles de citation

IM

Pagination

107892

Informations de copyright

Copyright © 2021 Elsevier Inc. All rights reserved.

Déclaration de conflit d'intérêts

Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.

Auteurs

Nguyen Minh Tam (NM)

Computational Chemistry Research Group, Ton Duc Thang University, Ho Chi Minh City, Vietnam; Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam.

Nguyen Minh Thong (NM)

The University of Danang, Campus in Kon Tum, 704 Phan Dinh Phung, Kon Tum, Vietnam.

Trinh Le Huyen (T)

Department of Applied Chemistry and Center for Emergent Functional Matter Science, National Yang Ming Chiao Tung University, Hsinchu 30010, Taiwan.

Loc Phuoc Hoang (LP)

Institute of Research and Development, Duy Tan University, Danang 550000, Vietnam.

Adam Mechler (A)

Department of Chemistry and Physics, La Trobe University, Victoria 3086, Australia.

Quan V Vo (QV)

Faculty of Chemical Technology- Environment, The University of Danang - University of Technology and Education, Danang 550000, Vietnam. Electronic address: vvquan@ute.udn.vn.

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Classifications MeSH

questionsmedicales.fr › Composés polycycliques › Hydrocarbures aromatiques polycycliques › Phénanthrènes › Diterpènes de type abiétane › The radical scavenging activity of abietane...
questionsmedicales.fr › Actions chimiques et utilisations › Utilisations spécialisées de produits chimiques › Agents protecteurs › Antioxydants › The radical scavenging activity of abietane...
questionsmedicales.fr › Composés chimiques organiques › Hydrocarbures › Terpènes › Diterpènes › The radical scavenging activity of abietane...
questionsmedicales.fr › Eucaryotes › Viridiplantae › Streptophyta › Embryophyta › Tracheobionta › Magnoliopsida › Lamiales › Lamiaceae › Salvia › The radical scavenging activity of abietane...