title: Investigation of the interaction between five alkaloids and human hemoglobin by fluorescence spectroscopy and molecular modeling.
abstract: This work studied the interaction of human hemoglobin (HHb) with aminophylline, acefylline, caffeine, theophylline and diprophylline systematically by UV-vis absorption spectroscopy and fluorescence spectroscopy in combination with molecular modeling. Five alkaloids caused the fluorescence quenching of HHb by the formation of alkaloids-HHb complex. The binding constants and thermodynamic parameters were obtained. The hydrophobic and electrostatic interactions were the predominant intermolecular forces to stabilize these complexes. Results of thermodynamic analysis and molecular modeling showed that aminophylline was the strongest quencher and diprophylline was the weakest quencher.
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, PR China.
authors.forename: Wu
authors.initials: W
authors.lastname: He
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, PR China.
authors.forename: Huanjing
authors.initials: H
authors.lastname: Dou
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, PR China.
authors.forename: Zhigang
authors.initials: Z
authors.lastname: Li
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, PR China.
authors.forename: Xiaogai
authors.initials: X
authors.lastname: Wang
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, PR China.
authors.forename: Lvjing
authors.initials: L
authors.lastname: Wang
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, PR China. Electronic address: wangry@zzu.edu.cn.
authors.forename: Ruiyong
authors.initials: R
authors.lastname: Wang
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, PR China. Electronic address: changjunbiao@zzu.edu.cn.
authors.forename: Junbiao
authors.initials: J
authors.lastname: Chang
mesh_terms: D000470:Alkaloids / Q000737:chemistry / Q000378:metabolism*; D006454:Hemoglobins / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D057927:Hydrophobic and Hydrophilic Interactions; D062105:Molecular Docking Simulation; D011485:Protein Binding; D013050:Spectrometry, Fluorescence; D055672:Static Electricity; D013816:Thermodynamics
chemical_list: D000470:Alkaloids; D006454:Hemoglobins
keywords: Alkaloid; Fluorescence spectroscopy; Human hemoglobin; Molecular modeling