title: Studies of the interaction between FNC and human hemoglobin: a spectroscopic analysis and molecular docking.
abstract: FNC (2'-deoxy-2'-bfluoro-4'-azidocytidine) is a novel nucleoside analogue with pharmacologic effects on several human diseases. In this work, the binding of FNC to human hemoglobin (HHb) have been investigated by absorption spectroscopy, fluorescence quenching technique, synchronous fluorescence, three-dimensional fluorescence and molecular modeling methods. Analysis of fluorescence data showed that the binding of FNC to HHb occurred via a static quenching mechanism. Thermodynamic analysis and molecular modeling suggest that hydrogen bond and van der Waals force are the mainly binding force in the binding of FNC to HHb.
authors.affiliation: Chinese Pharmacopeia Commission, Beijing 100061, China; College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, China. Electronic address: lihuiyi@chp.org.cn.
authors.forename: Huiyi
authors.initials: H
authors.lastname: Li
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, 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, China.
authors.forename: Yuhai
authors.initials: Y
authors.lastname: Zhang
authors.affiliation: College of Chemistry and Molecular Engineering, Zhengzhou University, 100 Science Avenue, Zhengzhou 450001, 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, 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, China.
authors.forename: Junbiao
authors.initials: J
authors.lastname: Chang
mesh_terms: D003841:Deoxycytidine / Q000031:analogs & derivatives* / Q000737:chemistry / Q000378:metabolism; D004735:Energy Transfer; D006454:Hemoglobins / Q000737:chemistry / Q000378:metabolism*; D006801:Humans; D007700:Kinetics; D062105:Molecular Docking Simulation; D011485:Protein Binding; D017433:Protein Structure, Secondary; D013050:Spectrometry, Fluorescence; D013056:Spectrophotometry, Ultraviolet; D013816:Thermodynamics
chemical_list: C000596970:2'-deoxy-2'-fluoro-4'-azidocytidine; D006454:Hemoglobins; D003841:Deoxycytidine
keywords: FNC; Human hemoglobin; Interaction; Molecular modeling