| 应用分子对接方法筛选桑椹红色素微胶囊壁材 |
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| 引用本文： | 杨文宇,王萌,肖阳,李飞,詹茂玲,陈祥贵,刘茂祥.应用分子对接方法筛选桑椹红色素微胶囊壁材[J].西华大学学报(自然科学版),2020,39(6):94-102. |
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| 作者姓名： | 杨文宇 王萌 肖阳 李飞 詹茂玲 陈祥贵 刘茂祥 |
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| 作者单位： | 西华大学食品与生物工程学院,四川成都 610039;四川黑金椹阳光农业有限公司,四川成都 610064 |
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| 基金项目： | 四川省中医药管理局标准化中药材种植(养殖)区域发展项目（2018C008） |
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| 摘 要： | 基于分子对接方法，对桑椹红色素微胶囊壁材的选择进行研究。采用对接评分和氢键评价候选蛋白质与桑椹红色素主要成分矢车菊素3-O-(6″-O-α-鼠李糖基-β-半乳糖苷)的结合能力，对筛选出的蛋白质，通过实验验证其用作桑椹红色素微胶囊壁材的适宜性。主要结果如下:大豆蛋白（大豆球蛋白和大豆H-2铁蛋白）与矢车菊素3-O-(6″-O-α-鼠李糖基-β-半乳糖苷)的结合能力强于鸡蛋蛋白（未裂解卵清蛋白和S-卵清蛋白）和牛奶蛋白（α-乳清蛋白和β-乳球蛋白）；以大豆分离蛋白与β-环糊精为壁材的微胶囊，桑椹红色素的包埋率随大豆分离蛋白的比例增加而增加；适宜工艺参数为大豆分离蛋白和β-环糊精质量比8∶2、芯材壁材质量比1∶10；按此制备的桑椹红色素微胶囊，在500、250 nm分辨率下的显微图像中具有完整的包合结构，对热、光的稳定性明显提高。分子对接方法在筛选食品与药品原辅料方面具有可行性和应用潜力。
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| 关 键 词： | 桑椹红色素 微胶囊 分子对接 大豆分离蛋白 |
| 收稿时间： | 2020-02-23 |
Selection of Wall Materials for Mulberry Red Pigment Microcapsules Guided by Molecular Docking Method |
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| YANG Wenyu,WANG Meng,XIAO Yang,LI Fei,ZHAN Maoling,CHEN Xianggui,LIU Maoxiang.Selection of Wall Materials for Mulberry Red Pigment Microcapsules Guided by Molecular Docking Method[J].Journal of Xihua University:Natural Science Edition,2020,39(6):94-102. |
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| Authors: | YANG Wenyu WANG Meng XIAO Yang LI Fei ZHAN Maoling CHEN Xianggui LIU Maoxiang |
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| Affiliation: | 1.School of Food and Bioengineering, Xihua University, Chengdu 610039 China |
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| Abstract: | A research method using molecular docking technique as a guide for screening the wall material of the microcapsules of mulberry red pigment was developed. Docking scores and hydrogen bonds strength were used to evaluate the binding ability between given candidate proteins and cyanidin 3-O- (6″-O-α-rhamnosyl-β-galactoside), the major component present in mulberry. The verification experiments about the suitability of the screened protein as wall material for mulberry red pigment microcapsules were carried out subsequently. The results were as follows: soybean protein (basic 7S globulin and H-2 ferritin) shows stronger binding capability to cyanidin-3-O- (6″-O-α-rhamnosyl-β-galactoside) than egg protein (uncleaved ovalbumin & S-ovalbumin) and milk protein (α-Lactalbumin & β-lactoglobulin); the inclusion rate of mulberry red pigment increases with the increase of the proportion of soy protein isolate in the wall materials mixture composed of soybean protein isolate and β-cyclodextrin. The optimized parameters for mulberry red pigment microcapsules are 8∶2 for the mass ratio of soybean protein isolate and β-cyclodextrin and 1∶10 for core-to-wall ratio. Complete inclusion structures with 500 nm or 250 nm resolution were revealed in the micrograph of mulberry red pigment microcapsules prepared according to above parameters, and higher stability of mulberry red pigment in those microcapsules was observed comparing to the control. It could be indicated that the method of molecular docking has application potential in the study of microcapsules and similar situations. |
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