2021
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Abstract: A new hybrid compound of chalcone-salicylate (title compound) has been successfully synthesized using a linker mode approach under reflux condition. The structure of the title compound has been established by spectroscopic analysis including UV-Vis, FT-IR, HRMS, 1D, and 2D NMR. Then, computational approach was also applied in this study through molecular docking and MD simulation to explore its potency against breast cancer. The results of the molecular docking study showed that the title compound exhibited mo… Show more

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“…Kajian docking dilakukan dengan memodifikasi prosedur sebelumnya [25]- [27] . Struktur kristal ER−α yang berikatan dengan 4-OHT (PDB ID: 3ERT) [26] dan struktur kristal ER-α yang berikatan dengan E2 (PDB ID: 1A52) [27]…”
Section: Preparasi Struktur Proteinunclassified
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“…Kajian docking dilakukan dengan memodifikasi prosedur sebelumnya [25]- [27] . Struktur kristal ER−α yang berikatan dengan 4-OHT (PDB ID: 3ERT) [26] dan struktur kristal ER-α yang berikatan dengan E2 (PDB ID: 1A52) [27]…”
Section: Preparasi Struktur Proteinunclassified