Molecular physicochemical parameters predicting antioxidant activity of Brazilian natural products

被引：20

作者：

Scotti, Luciana ^{[1
]}

Scotti, Marcus Tullius ^{[2
]}

Mesquita Pasqualoto, Kerly Fernanda ^{[1
]}

Bolzani, Vanderlan da Silva ^{[3
]}

Ferreira, Elizabeth Igne ^{[1
]}

机构：

[1] Univ Sao Paulo, Sch Pharmaceut Sci, Dept Pharm, BR-05508900 Sao Paulo, Brazil

[2] Univ Fed Paraiba, Ctr Ciencias Aplicadas & Educ, Rio Tinto, PB, Brazil

[3] State Univ Julio de Mesquita Filho, Inst Chem, BR-14800900 Araraquara, SP, Brazil

来源：

REVISTA BRASILEIRA DE FARMACOGNOSIA-BRAZILIAN JOURNAL OF PHARMACOGNOSY | 2009年 / 19卷 / 04期

基金：

巴西圣保罗研究基金会;

关键词：

Molecular modeling; phenolic compounds; antioxidant activity; PHENOLIC ANTIOXIDANTS; ARRABIDAEA-SAMYDOIDES; FLAVONOIDS;

D O I：

10.1590/S0102-695X2009000600020

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Reactive oxygen species (ROS) are capable of oxidizing cellular proteins, nucleic acids and lipids, contributing to cellular aging, mutagenesis, carcinogenesis, coronary heart and neurodegenerative diseases. Free radicals-scavenging by phenolic compounds occurs by the transfer of one electron followed by the H-abstraction. In order to evaluate the antioxidant activity of a series of seventeen phenolic compounds extracted from Brazilian flora (Chimarrhis turbinata and Arrabidea samydoides), some physicochemical parameters (heat formation of the neutral, radical, and cationic compounds; orbitals' energies; ClogP;Delta H(OX); and Delta H(f)) were calculated. Considering the results from the calculated descriptors, the molecules 10a-f can be classified as having a higher antioxidant activity.

引用

页码：908 / 913

页数：6

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