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Publication Details
AFRICAN RESEARCH NEXUS
SHINING A SPOTLIGHT ON AFRICAN RESEARCH
Antioxidant activity of hispidin oligomers from medicinal fungi: A dft study
Molecules, Volume 19, No. 3, Year 2014
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Description
Hispidin oligomers are styrylpyrone pigments isolated from the medicinal fungi Inonotus xeranticus and Phellinus linteus. They exhibit diverse biological activities and strong free radical scavenging activity. To rationalize the antioxidant activity of a series of four hispidin oligomers and determine the favored mechanism involved in free radical scavenging, DFT calculations were carried out at the B3P86/6-31+G (d, p) level of theory in gas and solvent. The results showed that bond dissociation enthalpies of OH groups of hispidin oligomers (ArOH) and spin density delocalization of related radicals (ArO) are the appropriate parameters to clarify the differences between the observed antioxidant activities for the four oligomers. The effect of the number of hydroxyl groups and presence of a catechol moiety conjugated to a double bond on the antioxidant activity were determined. Thermodynamic and kinetic studies showed that the PC-ET mechanism is the main mechanism involved in free radical scavenging. The spin density distribution over phenoxyl radicals allows a better understanding of the hispidin oligomers formation. © 2014 by the authors; licensee MDPI, Basel, Switzerland.
Authors & Co-Authors
Anouar, El Hassane
Malaysia, Shah Alam
Universiti Teknologi Mara
Shah, Syed Adnan Ali
Malaysia, Shah Alam
Universiti Teknologi Mara
Hassan, Normahanim Binti
Malaysia, Shah Alam
Universiti Teknologi Mara
Moussaoui, Najoua El
Morocco, Tetouan
Université Abdelmalek Essaadi
Ahmad, Rohaya Bte
Malaysia, Shah Alam
Universiti Teknologi Mara
Zulkefeli, Mohd
Malaysia, Shah Alam
Universiti Teknologi Mara
Weber, Jean-Frédéric F.
Malaysia, Shah Alam
Universiti Teknologi Mara
Statistics
Citations: 42
Authors: 7
Affiliations: 2
Identifiers
Doi:
10.3390/molecules19033489
e-ISSN:
14203049