Combined fluorescence spectroscopy and molecular modeling studies on the interaction between harmalol and human serum albumin

Journal of Pharmaceutical and Biomedical Analysis
Bahram HemmateenejadZahra Rezaei

Abstract

The interaction between harmalol and human serum albumin (HSA) has been studied by fluorescence spectroscopy and molecular modeling methods. The intrinsic fluorescence of HSA was quenched by harmalol, which was rationalized in terms of the static quenching mechanism. The binding parameters, quenching constants and conformation changes were determined by fluorescence quenching method. The thermodynamic parameters, calculated from the temperature dependence of binding constants (i.e., ΔH°=-62.7 kJ mol⁻¹ and ΔS°=-119.3J mol⁻¹ K⁻¹), indicated the major role of van der Waals force and hydrogen bonding in binding process. Site marker competitive experiments revealed that harmalol binds to both the IIA and IIIA sub-domains of HSA with a slight preference toward sub-domain IIA. Finally, the binding of harmalol to HSA was modeled by molecular docking and molecular dynamic simulation methods. Excellent agreement was found between the experimental and theoretical results with respect to the mechanism of binding and binding constants. Molecular dynamic simulation revealed that HSA does not have a significant conformational change when it binds with harmalol.

References

Jul 16, 1992·Nature·X M He, D C Carter
Mar 24, 2004·Journal of Chromatography. B, Analytical Technologies in the Biomedical and Life Sciences·W Pfau, K Skog
Jul 24, 2004·Acta Crystallographica. Section D, Biological Crystallography·Alexander W Schüttelkopf, Daan M F van Aalten
Jun 1, 2005·Biochimica Et Biophysica Acta·Meng-Xia XieYing-Dian Wang
May 26, 2006·Journal of Medicinal Chemistry·René Thomsen, Mikael H Christensen
Jan 8, 2008·Journal of Pharmaceutical and Biomedical Analysis·Zu-de QiXi Yang
May 23, 2008·Journal of Pharmaceutical and Biomedical Analysis·M BogdanCarmen Bugeac
Jan 29, 2009·Biomacromolecules·Yan-Jun HuXiao-He Xiao
Sep 3, 2009·Journal of Agricultural and Food Chemistry·Konstantina I PoulliConstantinos A Georgiou
May 12, 2010·Journal of Pharmaceutical and Biomedical Analysis·Selvaraj NaveenrajMuthupandian Ashokkumar
Nov 18, 2010·Biomacromolecules·Nehal IbrahimFrançoise Nepveu
Jun 15, 2011·Journal of Pharmaceutical and Biomedical Analysis·Yuanyuan YueXiaojun Yao

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Citations

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Nov 20, 2015·Journal of Photochemistry and Photobiology. B, Biology·Suyun LinDeming Gong
Jun 1, 2013·Luminescence : the Journal of Biological and Chemical Luminescence·Lin TangYufei Li
Oct 15, 2013·Luminescence : the Journal of Biological and Chemical Luminescence·Jie-hua ShiJun Chen
Jun 11, 2014·Luminescence : the Journal of Biological and Chemical Luminescence·Yaping Wang, Guowen Zhang
Jun 4, 2014·Luminescence : the Journal of Biological and Chemical Luminescence·Huijun ZuoJunwei Huang
Aug 25, 2015·Luminescence : the Journal of Biological and Chemical Luminescence·Min JiangJie-Hua Shi
May 10, 2016·Materials Science & Engineering. C, Materials for Biological Applications·Hadi AfsharanAbolghasem Jouyban
Apr 10, 2013·Biochimica Et Biophysica Acta·Shin-ichi Fujiwara, Takashi Amisaki
Apr 14, 2016·Luminescence : the Journal of Biological and Chemical Luminescence·Yuhong XiangZhuoyong Zhang
Mar 22, 2016·Journal of Biomolecular Structure & Dynamics·Subramani KarthikeyanSingaravelu Ganesan
Sep 2, 2016·Journal of Agricultural and Food Chemistry·Li ZengDeming Gong
Oct 22, 2016·Journal of Biomolecular Structure & Dynamics·Girish G ArigaShivamurti A Chimatadar
Nov 18, 2016·BioImpacts : BI·Hamed HamishehkarFarzaneh Rasoulzadeh
Apr 5, 2017·Luminescence : the Journal of Biological and Chemical Luminescence·Jiao-Jiao JingBo-Yang Dong
Dec 19, 2016·Journal of Biomolecular Structure & Dynamics·Hongyu ZhouFangang Meng
Jan 17, 2016·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·A SudhaN Sengottuvelan
Sep 13, 2017·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Wen QiMingming Zhao
Dec 19, 2017·Luminescence : the Journal of Biological and Chemical Luminescence·Jie JiaYuhong Xiang
Aug 17, 2017·Journal of Biomolecular Structure & Dynamics·Somaye Shahraki, Ali Heydari
Aug 28, 2019·Journal of Environmental Science and Health. Part. B, Pesticides, Food Contaminants, and Agricultural Wastes·Jiali GuTing Sun
Sep 12, 2020·Physical Chemistry Chemical Physics : PCCP·Fernando D VillarruelFranco M Cabrerizo
Jan 29, 2016·Luminescence : the Journal of Biological and Chemical Luminescence·Fang FangJie-Hua Shi
Dec 18, 2013·Luminescence : the Journal of Biological and Chemical Luminescence·Hua-jin ZengLing-bo Qu
Jul 20, 2019·International Journal of Biological Macromolecules·Ritutama GhoshNand Kishore
Feb 2, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Tina P AndrejevićBiljana Đ Glišić
Feb 2, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·M M SalimM Walash
Mar 30, 2021·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Guowen ZhangDeming Gong
Jun 29, 2021·Colloids and Surfaces. B, Biointerfaces·Fanhua KongXiqing Yue
Jul 17, 2021·Food Additives & Contaminants. Part A, Chemistry, Analysis, Control, Exposure & Risk Assessment·Tingting FanShumin Sun
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