Antioxidant properties of capsaicin analogues: A DFT study
NOPR - NISCAIR Online Periodicals Repository
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Title |
Antioxidant properties of capsaicin analogues: A DFT study
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Creator |
M, Porras-Alvarado
J, Bautista-Renedo H, Reyes Pérez E, Cuevas Yáñez N, González-Rivas |
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Subject |
Capsaicin
Antioxidant activity Electron transfer Hydrogen transfer |
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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. |
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Date |
2023-03-17T06:59:00Z
2023-03-17T06:59:00Z 2023-03 |
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Type |
Article
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Identifier |
2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/61528 https://doi.org/10.56042/ijc.v62i3.59485 |
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Language |
en
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Publisher |
NIScPR-CSIR,India
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Source |
IJC Vol.62(03) [Mar 2023]
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