Combined experimental and computational investigation of vildagliptin: spectroscopy, electronic structure, MD and Docking to EGFR, VEGFR2, and HER2 anticancer targets
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DOI: 10.1007/s10822-025-00646-9
Abstract: This study combines experimental and computational approaches to investigate the molecular geometry and physicochemical properties of vildagliptin (VILD). Using methods such as UV-Vis, spectrofluorimetry, FTIR/Raman, and circular dichroism alongside DFT, molecular docking, and dynamics simulations,… read more here.
Keywords: spectroscopy; vegfr2 her2; anticancer; experimental computational ... See more keywords