Synthesis, characterization and interaction studies of 1,3,4-oxadiazole derivatives of fatty acid with human serum albumin (HSA): A combined multi-spectroscopic and molecular docking study.
作者： Khairujjaman Laskar , Parvez Alam , Rizwan Hasan Khan , Abdul Rauf , None
DOI: 10.1016/J.EJMECH.2016.06.012
关键词: Circular dichroism 、 Proton NMR 、 Molecular Docking Simulation 、 Stereochemistry 、 Human serum albumin 、 Carbon-13 NMR 、 Serum albumin 、 Quenching (fluorescence) 、 Chemistry 、 Fluorescence
摘要: An efficient synthesis of fatty acid derivatives 1,3,4-oxadiazole has been reported and comparative study between conventional heating to that microwave irradiation also described. The newly synthesized compounds (2A-F) were characterized by FT-IR, (1)H NMR, (13)C NMR mass spectral analysis. binding interaction (Z)-2-(heptadec-8'-enyl)-5-methyl-1,3,4-oxadiazole (2C) with human serum albumin (HSA) evaluated UV, fluorescence, circular dichroism (CD) molecular docking studies. Fluorescence results showed compound 2C interacts HSA through static quenching mechanism affinity 2 × 10(3) M(-1) Gibbs free energy change (ΔG) was found be -16.83 kJ mol(-1). Molecular studies have performed evaluate possible mode HSA.
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