期刊
FOOD CHEMISTRY
卷 221, 期 -, 页码 1421-1425出版社
ELSEVIER SCI LTD
DOI: 10.1016/j.foodchem.2016.10.145
关键词
Sweeteners; Structure-activity relationship; Chemical space; Natural compounds
资金
- French Ministry of Higher Education and Research
- GIRACT (Geneva, Switzerland)
- Gen Foundation [1071026]
Based on the most exhaustive database of sweeteners with known sweetness values, a new quantitative structure-activity relationship model for sweetness prediction has been set up. Analysis of the physicochemical properties of sweeteners in the database indicates that the structure of most potent sweeteners combines a hydrophobic scaffold functionalized by a limited number of hydrogen bond sites (less than 4 hydrogen bond donors and 10 acceptors), with a moderate molecular weight ranging from 350 to 450 g.mol (1). Prediction of sweetness, bitterness and toxicity properties of the largest database of natural compounds have been performed. In silico screening reveals that the majority of the predicted natural intense sweeteners comprise saponin or stevioside scaffolds. The model highlights that their sweetness potency is comparable to known natural sweeteners. The identified compounds provide a rational basis to initiate the design and chemosensory analysis of new low-calorie sweeteners. (C) 2016 Elsevier Ltd. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据