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Recent developments in molecular docking technology applied in food science: a review
Author(s) -
Tao Xuan,
Huang Yukun,
Wang Chong,
Chen Fang,
Yang Lingling,
Ling Li,
Che Zhenming,
Chen Xianggui
Publication year - 2020
Publication title -
international journal of food science and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.831
H-Index - 96
eISSN - 1365-2621
pISSN - 0950-5423
DOI - 10.1111/ijfs.14325
Subject(s) - docking (animal) , computational biology , computer science , biochemical engineering , data science , nanotechnology , chemistry , management science , engineering , biology , materials science , medicine , nursing
Summary 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.