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Antioxidant properties of capsaicin analogues: A DFT study

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Title Antioxidant properties of capsaicin analogues: A DFT study
 
Creator M, Porras-Alvarado
J, Bautista-Renedo
H, Reyes Pérez
E, Cuevas Yáñez
N, González-Rivas
 
Subject Capsaicin
Antioxidant activity
Electron transfer
Hydrogen transfer
 
Description 278-283
Capsaicin is the one of the primary components of fruits of genus Capsicum and is responsible of the pungent sensation
known “spiciness”. In recent years, this compound has attracted special attention thanks to its beneficial biological effects,
such as its antioxidant, anti-obesity and antidiabetic activity, among others. In the present studies, twelve capsaicin
analogues with functional groups -SH, -NH2, -OCH3 and -F in the aromatic ring, have been proposed and studied using DFT
methodologies. The reactivity global indexes: ΔEHOMO-LUMO, Chemical hardness (η), Electron donating power (-) and
Dipole Moment (μ ⃗) and primary antioxidant activities have been obtained. According to the results, most of the analogues
with the amine (-NH2) and thiol (-SH) groups show better ability to donate and accept electrons, which translates into a
better antioxidant activity.
 
Date 2023-03-17T06:59:00Z
2023-03-17T06:59:00Z
2023-03
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/61528
https://doi.org/10.56042/ijc.v62i3.59485
 
Language en
 
Publisher NIScPR-CSIR,India
 
Source IJC Vol.62(03) [Mar 2023]