Spectroscopic and Molecular Docking Approaches for Investigation of Interaction of Phellopterin with Human Serum Albumin

doi:10.1016/S1872-2040(19)61149-7

	Spectroscopic and Molecular Docking Approaches for Investigation of Interaction of Phellopterin with Human Serum Albumin
	Cao Tuan-Wu 1; Tan Xiao-Ping 1; Huang Lu-Ping 1; Shi Jian-Wei 1; Xu Gang2
通讯作者	Cao Tuan-Wu(caotw2013@163.com) ; Xu Gang(xugang008@mail.kib.ac.cn)
	2019-03-01
发表期刊	CHINESE JOURNAL OF ANALYTICAL CHEMISTRY
ISSN	0253-3820
卷号	47 期号:3 页码:E19027-E19033
摘要	The mechanism of interaction between human serum albumin (HSA) and natural product phellopterin (PL) from Angelica dahurica was investigated by spectroscopic techniques with molecular docking under simulated physiological conditions. The experimental results showed that the fluorescence of HSA was regularly quenched by PL, and the quenching constants (K-sv) decreased with increasing temperature, which indicated that the quenching mechanism was a static quenching procedure. The binding constants (K-A) were larger than 10(-5 )M(-1 )and the number of binding sites (n) was approximate to 1 at different temperatures, which indicated that the binding affinity was hige and there was just one main binding site in HSA for PL. According to thermodynamic parameters from Van't Hoff equation, the binding process of PL with HSA was spontaneous and exothermic process due to Delta G < 0, and the electrostatic force played major role in the binding between PL and HSA according to Delta H < 0 and Delta S > 0. The binding distance (r) was calculated to be about 3.35 nm, which implied that the energy transfer from HSA to PL occurred with high possibility according to the theory of Forster's non-radiation energy transfer. The microenvironment and conformation of HSA changed with the addition of PL based on the results of synchronous and three-dimensional fluorescence methods. The molecular docking analysis revealed the binding locus of PL to HSA in subdomain IIIA (Sudlow's site II).
关键词	Phellopterin Human serum albumin Binding interaction Fluorescence spectroscopy Molecular docking
DOI	10.1016/S1872-2040(19)61149-7
收录类别	SCI
语种	英语
WOS记录号	WOS:000463439000001
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/67610
专题	植物化学与西部植物资源持续利用国家重点实验室
通讯作者	Cao Tuan-Wu; Xu Gang
作者单位	1.Yangtze Normal Univ, Sch Chem & Chem Engn, Lab Nat Med Res & Dev Wuling Mt, Fuling 408100, Peoples R China 2.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming 650201, Yunnan, Peoples R China
推荐引用方式 GB/T 7714	Cao Tuan-Wu,Tan Xiao-Ping,Huang Lu-Ping,et al. Spectroscopic and Molecular Docking Approaches for Investigation of Interaction of Phellopterin with Human Serum Albumin[J]. CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,2019,47(3):E19027-E19033.
APA	Cao Tuan-Wu,Tan Xiao-Ping,Huang Lu-Ping,Shi Jian-Wei,&Xu Gang.(2019).Spectroscopic and Molecular Docking Approaches for Investigation of Interaction of Phellopterin with Human Serum Albumin.CHINESE JOURNAL OF ANALYTICAL CHEMISTRY,47(3),E19027-E19033.
MLA	Cao Tuan-Wu,et al."Spectroscopic and Molecular Docking Approaches for Investigation of Interaction of Phellopterin with Human Serum Albumin".CHINESE JOURNAL OF ANALYTICAL CHEMISTRY 47.3(2019):E19027-E19033.

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