molecular dock
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Structures of 13(S)-HOTrE (PubChem, https://pubchem.ncbi.nlm.nih.gov/), MMP9, and COX-2 (PDB database, https://www.rcsb.org/) were prepared using PyMOL 2.1.0 and AutoDock Tools 1.5.6. Molecular docking targeting protein active sites (parameters in Table S2) was performed with AutoDock Vina 1.2.6. Binding affinities (kcal/mol) were evaluated, with more negative values indicating higher interaction stability. PyMOL and Discovery Studio 2019 were used for visualization.
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Zenodo创建时间：
2026-06-17
