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Therefore, MMP-9 inhibition is recommended as a therapeutic strategy for combating various diseases. Cinnamic acid derivatives have shown therapeutic effects in different cancers, Alzheimer\u2032s disease, cardiovascular diseases, and dental caries. A computational drug discovery approach was performed to evaluate the binding affinity of selected cinnamic acid derivatives to the MMP-9 active site. The stability of docked poses for top-ranked compounds was also examined. Twelve herbal cinnamic acid derivatives were tested for possible MMP-9 inhibition using the AutoDock 4.0 tool. The stability of the docked poses for the most potent MMP-9 inhibitors was assessed by molecular dynamics (MD) in 10 nanosecond simulations. Interactions between the best MMP-9 inhibitors in this study and residues incorporated in the MMP-9 active site were studied before and after MD simulations. Cynarin, chlorogenic acid, and rosmarinic acid revealed a considerable binding affinity to the MMP-9 catalytic domain (\u0394Gbinding &lt; -10 kcal\/mol). The inhibition constant value for cynarin and chlorogenic acid were calculated at the picomolar scale and assigned as the most potent MMP-9 inhibitor from the cinnamic acid derivatives. The root-mean-square deviations for cynarin and chlorogenic acid were below 2 \u00c5 in the 10 ns simulation. Cynarin, chlorogenic acid, and rosmarinic acid might be considered drug candidates for MMP-9 inhibition.<\/jats:p>","DOI":"10.5808\/gi.22077","type":"journal-article","created":{"date-parts":[[2023,3,31]],"date-time":"2023-03-31T09:55:02Z","timestamp":1680256502000},"page":"e9","update-policy":"https:\/\/doi.org\/10.5808\/crossmark_policy","source":"Crossref","is-referenced-by-count":20,"title":["Cinnamic acid derivatives as potential matrix metalloproteinase-9 inhibitors: molecular docking and dynamics simulations"],"prefix":"10.5808","volume":"21","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-7777-2194","authenticated-orcid":true,"given":"Mohammad 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