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Interaction of Irbesartan with Bovine Hemoglobin Using Spectroscopic Techniques and Molecular Docking
Joint Authors
Yang, Ai-Ping
Ma, Mei-Hua
Li, Xiao-Hua
Xue, Mao-Yun
Source
Issue
Vol. 2012, Issue 2012 (31 Dec. 2012), pp.1-10, 10 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2012-05-28
Country of Publication
Egypt
No. of Pages
10
Main Subjects
Abstract EN
The binding of irbesartan to bovine hemoglobin (BHb) has been investigated for the first time by using UV-Vis absorption, fluorescence, circular dichroism (CD), and molecular docking.
The binding site number n and binding constant K were calculated to be 1 and 2.41×105 M−1, respectively.
The alternations of protein secondary structure in the presence of irbesartan was demonstrated using CD spectroscopy.
Furthermore, molecular docking indicated that irbesartan could bind to the site 2 of BHb.
The analysis of the binding site of irbesartan within the BHb molecule suggested that hydrophobic interaction, hydrogen bond formation, and electrostatic interaction could account for the binding of irbesartan.
The hydrogen bond of irbesartan with His87 in the C chain of BHb has been formed.
The electrostatic energy, van der Waals energy, and binding free energy were calculated to be −460.3, −224.2, and−684.5 kcal·moL−1, respectively.
American Psychological Association (APA)
Yang, Ai-Ping& Ma, Mei-Hua& Li, Xiao-Hua& Xue, Mao-Yun. 2012. Interaction of Irbesartan with Bovine Hemoglobin Using Spectroscopic Techniques and Molecular Docking. Journal of Spectroscopy،Vol. 2012, no. 2012, pp.1-10.
https://search.emarefa.net/detail/BIM-998733
Modern Language Association (MLA)
Yang, Ai-Ping…[et al.]. Interaction of Irbesartan with Bovine Hemoglobin Using Spectroscopic Techniques and Molecular Docking. Journal of Spectroscopy No. 2012 (2012), pp.1-10.
https://search.emarefa.net/detail/BIM-998733
American Medical Association (AMA)
Yang, Ai-Ping& Ma, Mei-Hua& Li, Xiao-Hua& Xue, Mao-Yun. Interaction of Irbesartan with Bovine Hemoglobin Using Spectroscopic Techniques and Molecular Docking. Journal of Spectroscopy. 2012. Vol. 2012, no. 2012, pp.1-10.
https://search.emarefa.net/detail/BIM-998733
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-998733