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The molecular docking of myosin and polyphenols was studied using AutoDock Vina software. Pretreatment of the myosin model (dehydration, hydrogenation, and charge) was achieved using AutoDock Tools 1.5.7. The molecular and 3D structures of CA, GA, ECG, and EGCG were downloaded from the PubChem database (https://pubchem.ncbi.nlm.nih.gov/) and obtained using Chem3D software energy minimization with the MM2 force field. The minimum binding energy and corresponding binding configurations were obtained from the AutoDock Vina scoring function.
Copyright and License information: ©2023 The Author(s)
This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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