Interaction Between 7-Ethyl-10-Hydroxycamptothecin and β-Lactoglobulin Based on Molecular Docking and Molecular Dynamics Simulations

Authors :: Tegexibaiyin Wang
Abdul Jamil Khan
Feng Zhang
Xiaoying Guan
Pandeng Miao
Feng Gao
Jiawei Li
Source :: Journal of Macromolecular Science, Part B. 60:989-998
Publication Year :: 2021
Publisher :: Informa UK Limited, 2021.
Abstract: The binding mechanism of 7-ethyl-10-hydroxycamptothecin (SN38) with β-lactoglobulin (β-lg) was studied by molecular docking and molecular dynamics simulation. The docking results showed that van de...

Subjects :: Molecular dynamics
Materials science
Polymers and Plastics
Docking (molecular)
Computational chemistry
Materials Chemistry
food and beverages
General Chemistry
Condensed Matter Physics
7-ethyl-10-hydroxycamptothecin

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