1Department of Chemistry, Faculty of Mathematics and Natural Sciences Military, Univeritas Pertahanan RI, Bogor, Indonesia
2Department of Chemistry Education, Faculty of Mathematics and Natural Sciences, Universitas Negeri Yogyakarta, Yogyakarta, Indonesia
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@article{JKSA70056, author = {Minandre Wiratama and Cornelia Budimarwanti}, title = {Synthesis and Molecular Docking Study of Dibenzal Monocarbonyl (Curcumin Analog) and Its Potential as Anti-Inflammatory}, journal = {Jurnal Kimia Sains dan Aplikasi}, volume = {28}, number = {2}, year = {2025}, keywords = {Synthesis; Molecular Docking; Anti-Inflammatory}, abstract = {Curcumin is a naturally occurring substance with a wide range of biological activity. One of the biological activities of curcumin is as an anti-inflammatory. The science of organic synthesis is able to produce substances that are analogous to those found in nature. The synthesis of organic compounds can also be used to change a compound by making it more bioactive. This research focused on synthesizing dibenzal monocarbonyl, a compound similar to curcumin, and examined its interaction with the active site of cyclooxygenase-2 (COX-2) through molecular docking simulations. Dibenzal monocarbonyl was synthesized via an aldol condensation reaction utilizing sodium hydroxide as a catalyst. The synthesized compound was characterized using FTIR and 1 H-NMR, achieving a yield of 98.676%. Molecular docking was performed utilizing AutoDock Tools and AutoDock Vina, and each docked compound was visualized through Discovery Studio Visualizer. This compound demonstrated the highest anti-inflammatory activity against COX-2, as indicated by molecular docking studies, with a binding affinity of -8.4 kcal/mol.}, issn = {2597-9914}, pages = {68--72} doi = {10.14710/jksa.28.2.68-72}, url = {https://ejournal.undip.ac.id/index.php/ksa/article/view/70056} }
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