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Article Dans Une Revue Journal of Biomolecular Structure and Dynamics Année : 2019

A combined computational/experimental study on HSA binding of two water-soluble Schiff base ligands derived from pyridine derivative and ethylendiamine

Résumé

In this paper, two water soluble Schiff bases were synthesized by the reaction of 4-pyridinecarbaldehyde or 4-pyridylmethyl ketone with ethylenediamine (Scheme S1). Then the bidentate Schiff base compounds were characterized by 1H NMR spectroscopies and elemental analysis. In addition, the molecular structure of one of these compounds was determined by single crystal X-ray diffraction technique. Then, the binding ability of these two Schiff bases with HSA was investigated using UV-Vis and fluorescence spectroscopy, molecular docking and molecular dynamics simulation methods
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Dates et versions

hal-04085393 , version 1 (28-04-2023)
hal-04085393 , version 2 (02-05-2023)

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Hajar Molaee, Mehdi Sahihi, Majid Moghadam, Valiollah Mirkhani, Shahram Tangestaninejad, et al.. A combined computational/experimental study on HSA binding of two water-soluble Schiff base ligands derived from pyridine derivative and ethylendiamine. Journal of Biomolecular Structure and Dynamics, 2019, 37 (3), pp.641-648. ⟨10.1080/07391102.2018.1436091⟩. ⟨hal-04085393v2⟩
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