title: Study on the interaction of taiwaniaquinoids with FTO by spectroscopy and molecular modeling.
abstract: In this work, an attempt has been made to study the interaction of four taiwaniaquinoids with fat mass and obesity-associated protein (FTO) by UV-vis absorption, fluorescence spectroscopy, and molecular docking techniques. The results indicated that taiwaniaquinoids effectively quenched the intrinsic fluorescence of FTO via static quenching. According to the binding constants and thermodynamic parameters at three different temperatures, the hydrophobic force and electrostatic interactions appeared be the predominant intermolecular forces in stabilizing the complex. Results revealed that W-4 was the strongest quencher and W-3 was the weakest. The results of synchronous and three-dimensional fluorescence spectra showed that the conformation of FTO was changed. In addition, the influence of molecular structure on the quenching effect has been investigated.
authors.forename: Ting
authors.initials: T
authors.lastname: Ren
authors.affiliation: a College of Chemistry and Molecular Engineering , Zhengzhou University , 100 Science Avenue, Zhengzhou 450001 , China.
authors.forename: Lijiao
authors.initials: L
authors.lastname: Zhang
authors.affiliation: a College of Chemistry and Molecular Engineering , Zhengzhou University , 100 Science Avenue, Zhengzhou 450001 , China.
authors.forename: Jinqian
authors.initials: J
authors.lastname: Wang
authors.affiliation: a College of Chemistry and Molecular Engineering , Zhengzhou University , 100 Science Avenue, Zhengzhou 450001 , China.
authors.forename: Chuanjun
authors.initials: C
authors.lastname: Song
authors.affiliation: a College of Chemistry and Molecular Engineering , Zhengzhou University , 100 Science Avenue, Zhengzhou 450001 , China.
authors.forename: Ruiyong
authors.initials: R
authors.lastname: Wang
authors.affiliation: a College of Chemistry and Molecular Engineering , Zhengzhou University , 100 Science Avenue, Zhengzhou 450001 , China.
authors.forename: Junbiao
authors.initials: J
authors.lastname: Chang
mesh_terms: D000071516:Alpha-Ketoglutarate-Dependent Dioxygenase FTO / Q000737:chemistry* / Q000378:metabolism; D001665:Binding Sites; D004224:Diterpenes / Q000737:chemistry* / Q000378:metabolism; D008958:Models, Molecular; D008968:Molecular Conformation; D062105:Molecular Docking Simulation; D056004:Molecular Dynamics Simulation; D011485:Protein Binding; D013057:Spectrum Analysis; D013816:Thermodynamics
chemical_list: D004224:Diterpenes; D000071516:Alpha-Ketoglutarate-Dependent Dioxygenase FTO
keywords: FTO; interaction; molecular modeling; spectroscopy; taiwaniaquinoids