Recent developments in molecular docking technology applied in food science: a review

被引：198

作者：

Tao, Xuan ^{[1
]}

Huang, Yukun ^{[1
,2
]}

Wang, Chong ^{[1
]}

Chen, Fang ^{[1
]}

Yang, Lingling ^{[1
]}

Ling, Li ^{[1
,3
]}

Che, Zhenming ^{[1
]}

Chen, Xianggui ^{[1
,2
]}

机构：

[1] Xihua Univ, Sch Food & Bioengn, Chengdu 610039, Sichuan, Peoples R China

[2] Yibin Xihua Univ, Res Inst, Engn Technol Res Ctr Food Non Thermal Proc, Key Lab Food Non Thermal Proc, Yibin 644404, Sichuan, Peoples R China

[3] Chengdu Univ Tradit Chinese Med, Coll Pharm, Chengdu 611137, Sichuan, Peoples R China

来源：

INTERNATIONAL JOURNAL OF FOOD SCIENCE AND TECHNOLOGY | 2020年 / 55卷 / 01期

基金：

中国国家自然科学基金;

关键词：

Developments; food; interaction; mechanism; molecular docking; HUMAN SERUM-ALBUMIN; PROTEIN-LIGAND DOCKING; I-CONVERTING-ENZYME; BIOACTIVE PEPTIDE; ALPHA-AMYLASE; LISTERIA-MONOCYTOGENES; INHIBITORY PEPTIDES; AMINO-ACIDS; DRUG DESIGN; VITAMIN-D;

D O I：

10.1111/ijfs.14325

中图分类号：

TS2 [食品工业];

学科分类号：

100403 [营养与食品卫生学];

摘要：

Molecular docking is a theoretical simulation method based on bioinformatics, which studies the interaction between molecules (such as ligands and receptors), and predicts their binding modes and affinity via a computer platform. This technology acts as a promising mean in medicinal chemistry such as structure-based rational drug design, which is accepted by researchers in the scientific community. During recent years, various fundamental studies involving biomolecular interaction in the food matrix have gradually emerged. The remarkable advantages of molecular docking such as predicting experiments are attracting increasing attention for its application potential in various fields. This review presents the theory and software development of molecular docking, and emphasises its application in the field of food science, including nutritional components and food safety. Moreover, the operational mechanisms of molecular docking are further summarised in this review.

引用

页码：33 / 45

页数：13

共 141 条

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In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against Fusarium Wilt in Tomato [J].