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Shahabadi, Nahid, hadidi, saba, Shafiei, Hooria, Mardani, Zahra. (1401). Multispectroscopic and molecular modeling approach to investigate the interaction of zinc(II) complex containing amino alcohol ligand with biomacromolecule HSA. , 1(1), 10-18. doi: 10.22126/bmcj.2023.2624
Nahid Shahabadi; saba hadidi; Hooria Shafiei; Zahra Mardani. "Multispectroscopic and molecular modeling approach to investigate the interaction of zinc(II) complex containing amino alcohol ligand with biomacromolecule HSA". , 1, 1, 1401, 10-18. doi: 10.22126/bmcj.2023.2624
Shahabadi, Nahid, hadidi, saba, Shafiei, Hooria, Mardani, Zahra. (1401). 'Multispectroscopic and molecular modeling approach to investigate the interaction of zinc(II) complex containing amino alcohol ligand with biomacromolecule HSA', , 1(1), pp. 10-18. doi: 10.22126/bmcj.2023.2624
Shahabadi, Nahid, hadidi, saba, Shafiei, Hooria, Mardani, Zahra. Multispectroscopic and molecular modeling approach to investigate the interaction of zinc(II) complex containing amino alcohol ligand with biomacromolecule HSA. , 1401; 1(1): 10-18. doi: 10.22126/bmcj.2023.2624

Multispectroscopic and molecular modeling approach to investigate the interaction of zinc(II) complex containing amino alcohol ligand with biomacromolecule HSA

Bioinorganic and Medicinal Inorganic Chemistry Journal
دوره 1، شماره 1، خرداد 2023، صفحه 10-18    اصل مقاله (1.18 M)
نوع مقاله: Original Article
شناسه دیجیتال (DOI): 10.22126/bmcj.2023.2624
نویسندگان
Nahid Shahabadi* 1؛ saba hadidi1؛ Hooria Shafiei2؛ Zahra Mardani3
1Department of Inorganic Chemistry, Faculty of Chemistry, Razi University, Kermanshah, IRAN
2Inorganic chem. dept. Chem. Faculty, Razi University, Kermanshah, IRAN
3Department of Inorganic Chemistry, Faculty of Chemistry, Urmia University, Urmia, Iran
چکیده
In this study, a zinc(II) complex containing amino alcohol ligand; [(cis-2-((2-((2-hydroxyethyl)aminoethylamino)benzene-1-ol) dibromo zinc(II)] or briefly [Zn(HAIP)Br2]) has been synthesized and the interaction with Human Serum Albumin (HSA) studied using various spectroscopic techniques and molecular docking. The UV–vis absorption spectra of HSA decreased by adding the complex and therefore, suggesting that this complex led to a change in conformation of α-helical of protein. The fluorescence results showed that the HSA emission was quenched by zinc(II) complex through static quenching. In addition, the presence of hydrogen bond and van der Waals force was confirmed due to thermodynamic parameters. The molecular docking was used to simulate and predict the binding site of zinc(II) complex to albumin and to authenticate experimental results. There is a good agreement between the free binding energy of docking simulation and the binding constant of fluorescence experiments. These results very clearly authenticate that zinc complex–HSA docked model is in approximate correlation with our experimental results.
کلیدواژه‌ها
Amino alcohol ligand؛ Bio-macromolecule؛ Human Serum Albumin (HSA)؛ Docking
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تعداد مشاهده مقاله: 127
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