Binding properties of marine bromophenols with human protein tyrosine phosphatase 1B: Molecular docking, surface plasmon resonance and cellular insulin resistance study

doi:10.1016/j.ijbiomac.2020.06.263

CORC > 海洋研究所 > 中国科学院海洋研究所 > 实验海洋生物学重点实验室

	Binding properties of marine bromophenols with human protein tyrosine phosphatase 1B: Molecular docking, surface plasmon resonance and cellular insulin resistance study
	Luo, Jiao 2,3; Zhang, Renshuai 5,6; Wang, Xuehe 1; Hou, Zhanhui 3,4; Guo, Shuju 3,4; Jiang, Bo 3,4
刊名	INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
	2020-11-15
卷号	163 页码:200-208
关键词	PTP1B Bromophenol Molecular docking Surface plasmon resonance
ISSN号	0141-8130
DOI	10.1016/j.ijbiomac.2020.06.263
通讯作者	Jiang, Bo(jiangbo@qdio.ac.cn)
英文摘要	Protein tyrosine phosphatase 1B (PTP1B) is a highly validated target for the treatment of type 2 diabetes and obesity. Previous studies have shown that bromophenols from marine red alga Rhodomela confervoides can inhibit PTP1B activity. However, traditional in vitro enzymatic assays may result in false positive activity. Here, we reported a successful application of molecular docking and surface plasmon resonance (SPR) assay for the characterization of small-molecule PTP1B inhibitorswith high affinity. First, molecular docking study indicated that six bromophenol compounds preferred to bind PTP1B with open conformation rather than one with closed conformation. Next, SPR study indicated that compound 3 was the most potent and stable PTP1B inhibitor at the nanomolar level. Then Lineweaver-Burk plot data showed that compound 3 was a competitive PTP1B inhibitor. Moreover, compound 3 could improve palmitate-induced insulin resistance in HepG2 cells. Taken together, molecular docking and SPR-based methodology could apply in the development of PTP1B inhibitors with high affinity. (C) 2020 Published by Elsevier B.V.
资助项目	NSFC-Shandong Joint Fund[U1706213]
WOS研究方向	Biochemistry & Molecular Biology ; Chemistry ; Polymer Science
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000579839600021
内容类型	期刊论文
源URL	[http://ir.qdio.ac.cn/handle/337002/169294]
专题	海洋研究所_实验海洋生物学重点实验室
通讯作者	Jiang, Bo
作者单位	1.Qingdao Univ, Songshan Hosp, Dept Gynaecol, Med Coll, Qingdao 266021, Peoples R China 2.Qingdao Univ, Sch Publ Hlth, Qingdao 266071, Peoples R China 3.Chinese Acad Sci, Inst Oceanol, Key Lab Expt Marine Biol, 7 Nanhai Rd, Qingdao 266071, Peoples R China 4.Chinese Acad Sci, Ctr Ocean Megasci, 7 Nanhai Rd, Qingdao 266071, Peoples R China 5.Qingdao Univ, Affiliated Hosp, Canc Inst, Qingdao 266071, Peoples R China 6.Qingdao Canc Inst, Qingdao 266071, Peoples R China
推荐引用方式 GB/T 7714	Luo, Jiao,Zhang, Renshuai,Wang, Xuehe,et al. Binding properties of marine bromophenols with human protein tyrosine phosphatase 1B: Molecular docking, surface plasmon resonance and cellular insulin resistance study[J]. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,2020,163:200-208.
APA	Luo, Jiao,Zhang, Renshuai,Wang, Xuehe,Hou, Zhanhui,Guo, Shuju,&Jiang, Bo.(2020).Binding properties of marine bromophenols with human protein tyrosine phosphatase 1B: Molecular docking, surface plasmon resonance and cellular insulin resistance study.INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,163,200-208.
MLA	Luo, Jiao,et al."Binding properties of marine bromophenols with human protein tyrosine phosphatase 1B: Molecular docking, surface plasmon resonance and cellular insulin resistance study".INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES 163(2020):200-208.