Active Components of Essential Oils as Anti-Obesity Potential Drugs Investigated by in Silico Techniques

被引：19

作者：

Costa, Giosue ^{[1
]}

Gidaro, Maria Concetta ^{[1
]}

Vullo, Daniela ^{[2
]}

Supuran, Claudiu T. ^{[2
]}

Alcaro, Stefano ^{[1
]}

机构：

[1] Magna Graecia Univ Catanzaro, Dipartimento Sci Salute, Campus Univ S Venuta,Viale Europa, I-88100 Catanzaro, Italy

[2] Univ Florence, Polo Sci, Chim Bioorgan Lab, Via Lastruccia 3, I-50019 Florence, Italy

来源：

JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY | 2016年 / 64卷 / 26期

关键词：

essential oils; antiobesity; human carbonic anhydrase; inhibition; virtual screening; CARBONIC-ANHYDRASE INHIBITORS; PLANT ESSENTIAL OILS; EMERGING DRUGS; LIPPIA-ALBA; VA; CONSTITUENTS; SULFONAMIDES; DERIVATIVES; VB;

D O I：

10.1021/acs.jafc.6b02004

中图分类号：

S [农业科学];

学科分类号：

09 ;

摘要：

In this study, for the first time, we have considered essential oils (EOs) as possible resources of carbonic anhydrase inhibitors (CAIs), in particular against the mitochondrial isoform VA that, actually, represents an innovative target for the obesity treatment. In silico structure-based-virtual screening was performed in order to speed up the identification of promising antiobesity agents. The potential hit compounds were submitted to in vitro assays and experimental results, corroborated by molecular modeling studies, showed EOs components as a new class of CAIs with a competitive mechanism of action due to the zinc ion coordination within the active sites of these metallo-enzymes.

引用

收藏

页码：5295 / 5300

页数：6

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