Polybenzyls from Gastrodia elata, their agonistic effects on melatonin receptors and structure-activity relationships

doi:10.1016/j.bmc.2019.06.008

	Polybenzyls from Gastrodia elata, their agonistic effects on melatonin receptors and structure-activity relationships
	Chen, Si-Yue 1,2,3; Geng, Chang-An1,2 ; Ma, Yun-Bao 1,2; Huang, Xiao-Yan 1,2; Yang, Xiao-Tong 1,2,3; Su, Li-Hua 1,2,3; He, Xiao-Feng 1,2,3; Li, Tian-Ze 1,2; Deng, Zhen-Tao 1,2,3; Gao, Zhen 1,2,3; Zhang, Xue-Mei1,2 ; Chen, Ji-Jun1,2,3
通讯作者	Chen, Ji-Jun(chenjj@mail.kib.ac.cn)
	2019-08-01
发表期刊	BIOORGANIC & MEDICINAL CHEMISTRY
ISSN	0968-0896
卷号	27 期号:15 页码:3299-3306
摘要	Gastrodia elata is a famous traditional Chinese herb with medicinal and edible application. In this study, nine polybenzyls (1-9), including six new ones (2-5, 7 and 9), were isolated from the EtOAc extract of G. elata. Five compounds 1, 3, 4, 6 and 8 were found to activate melatonin receptors. Especially, compound 1 showed agonistic effects on MT1 and MT2 receptors with EC50 values of 237 and 244 mu M. For better understanding their structure-activity relationships (SARs), ten polybenzyl analogs were further synthesized and assayed for their activities on melatonin receptors. Preliminary SARs study suggested that two para-hydroxy groups were the key pharmacophore for maintaining activity. Molecular docking simulations verified that compound 1 could strongly interact with MT2 receptor by bonding to Phe 118, Gly 121, His 208, Try 294 and Ala 297 residues.
关键词	Gastrodia elata Polybenzyls Melatonin receptors Structure-activity relationships Docking study
DOI	10.1016/j.bmc.2019.06.008
收录类别	SCI
语种	英语
WOS记录号	WOS:000476649400009
引用统计
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/68130
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	Chen, Ji-Jun
作者单位	1.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming 650201, Yunnan, Peoples R China 2.Yunnan Key Lab Nat Med Chem, Kunming 650201, Yunnan, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Chen, Si-Yue,Geng, Chang-An,Ma, Yun-Bao,et al. Polybenzyls from Gastrodia elata, their agonistic effects on melatonin receptors and structure-activity relationships[J]. BIOORGANIC & MEDICINAL CHEMISTRY,2019,27(15):3299-3306.
APA	Chen, Si-Yue.,Geng, Chang-An.,Ma, Yun-Bao.,Huang, Xiao-Yan.,Yang, Xiao-Tong.,...&Chen, Ji-Jun.(2019).Polybenzyls from Gastrodia elata, their agonistic effects on melatonin receptors and structure-activity relationships.BIOORGANIC & MEDICINAL CHEMISTRY,27(15),3299-3306.
MLA	Chen, Si-Yue,et al."Polybenzyls from Gastrodia elata, their agonistic effects on melatonin receptors and structure-activity relationships".BIOORGANIC & MEDICINAL CHEMISTRY 27.15(2019):3299-3306.

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