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| Cinnamic acid derivatives as potential matrix metalloproteinase-9 inhibitors: molecular docking and dynamics simulations |
| Mohammad Hossein Malekipour, Farzaneh Shirani, Shadi Moradi, Amir Taherkhani |
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Genomics Inform. 2023;21(1):e9 Published online March 31, 2023 DOI: https://doi.org/10.5808/gi.22077 |
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Cinnamic acid derivatives as potential matrix metalloproteinase-9 inhibitors: molecular docking and dynamics simulations Genomics & Informatics. 2023;21(1):e9  Synthesis, characterization and molecular docking of novel lonazolac analogues 3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-arylpropanoic acid derivatives: Highly potential COX-1/COX-2, matrix metalloproteinase and protein denaturation inhibitors Journal of Molecular Structure. 2022;1260:132782 Design, Synthesis, and Preliminary Evaluation of Substituted Cinnamic Acid Esters as Selective Matrix Metalloproteinase Inhibitors Drug Development Research. 2012;73(6):317-324 Computational study of molecular electrostatic potential, docking and dynamics simulations of gallic acid derivatives as ABL inhibitors Computational Biology and Chemistry. 2018;74:239-246 Molecular modelling studies of quinazolinone derivatives as MMP-13 inhibitors by QSAR, molecular docking and molecular dynamics simulations techniques MedChemComm. 2019;10(1):101-115 Exploring Aurone Derivatives as Potential Human Pancreatic Lipase Inhibitors through Molecular Docking and Molecular Dynamics Simulations Molecules. 2020;25(20):4657 Computational identification of novel piperidine derivatives as potential HDM2 inhibitors designed by fragment-based QSAR, molecular docking and molecular dynamics simulations Structural Chemistry. 2015;27(3):993-1003 Investigations on the mechanisms of interactions between matrix metalloproteinase 9 and its flavonoid inhibitors using a combination of molecular docking, hybrid quantum mechanical/molecular mechanical calculations, and molecular dynamics simulations Canadian Journal of Chemistry. 2014;92(9):821-830 Evaluation of Adamantane Derivatives as Inhibitors of Dengue Virus mRNA Cap Methyltransferase by Docking and Molecular Dynamics Simulations Molecular Informatics. 2012;32(2):155-164 Computational investigation of pyrrolidin derivatives as novel GPX4/MDM2–p53 inhibitors using 2D/3D-QSAR, Molecular docking, Molecular dynamics simulations and MM-GBSA free energy . 2022; |
