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

• Fatty acid derivatives of 1,3,4-oxadiazole were synthesized and characterized.
• Comparative study of conventional heating and microwave irradiation method described.
• Binding of compound 2C with HSA was investigated.
• Compound 2C binds at subdomain III A at binding site II of HSA.

An efficient synthesis of fatty acid derivatives of 1,3,4-oxadiazole has been reported and comparative study between conventional heating to that of microwave irradiation also described. The newly synthesized compounds (2A-F) were characterized by FT-IR, 1H NMR, 13C NMR and mass spectral analysis. The binding interaction of (Z)-2-(heptadec-8′-enyl)-5-methyl-1,3,4-oxadiazole (2C) with human serum albumin (HSA) has been evaluated by UV, fluorescence, circular dichroism (CD) and molecular docking studies. Fluorescence results showed that compound 2C interacts with HSA through static quenching mechanism with binding affinity of 2 × 103 M−1 and Gibbs free energy change (ΔG) was found to be −16.83 kJ mol−1. Molecular docking studies have been performed to evaluate possible mode of interaction of compound 2C with HSA.

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