title: Experimental and theoretical investigation on the interaction between cyclovirobuxine D and human serum albumin.
abstract: Cyclovirobuxine D is an active compound extracted from the plant Buxux microphylla, and widely available as medications; however, its abuse may casts potential detrimental effects on human health. By using multispectroscopic techniques and molecular modeling, the interaction of cyclovirobuxine D with human serum albumin was investigated. The fluorescence results manifested that static type was the operative mechanism for the interaction with human serum albumin. The structural investigation of the complexed HSA through CD, three-dimensional, FT-IR and synchronous fluorescence shown the polypeptide chain of HSA partially destabilizing. Docking studies revealed the molecule to be bound in the subdomain IIA. Finally, we investigated the distance between the bound ligand and Trp-214 of human serum albumin.
authors.affiliation: School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, PR China; School of Environment, Henan Normal University, Xinxiang, Henan 453007, PR China. Electronic address: yuanyuanyue@htu.cn.
authors.forename: Yuanyuan
authors.initials: Y
authors.lastname: Yue
authors.affiliation: School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, PR China.
authors.forename: Ren
authors.initials: R
authors.lastname: Liu
authors.affiliation: School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, PR China.
authors.forename: Jianming
authors.initials: J
authors.lastname: Liu
authors.affiliation: School of Chemistry and Chemical Engineering, Henan Normal University, Xinxiang, Henan 453007, PR China.
authors.forename: Qiao
authors.initials: Q
authors.lastname: Dong
authors.affiliation: School of Environment, Henan Normal University, Xinxiang, Henan 453007, PR China.
authors.forename: Jing
authors.initials: J
authors.lastname: Fan
mesh_terms: D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D006801:Humans; D062105:Molecular Docking Simulation; D012709:Serum Albumin / Q000737:chemistry*; D013053:Spectrophotometry / Q000379:methods
chemical_list: D004365:Drugs, Chinese Herbal; D012709:Serum Albumin; C032939:cyclovirobuxine D
keywords: Cyclovirobuxine D; Fluorescence; Molecular modeling; Three-dimensional fluorescence