Novel Cinobufagin Oxime Ether Derivatives as Potential Na+/ K+-ATPase Inhibitors: Synthesis, Biological Screening and Molecular Docking

被引：3

作者：

Liang Guangping ^{[1
,2
]}

Chung Tseyu ^{[3
]}

Guo Jinhua ^{[1
,2
]}

Zhang Rongrong ^{[1
,2
]}

Xu Wei ^{[1
,2
]}

Tzen, Jason T. C. ^{[3
]}

Jiang Renwang ^{[1
,2
]}

机构：

[1] Jinan Univ, Coll Pharm, Guangzhou 510632, Guangdong, Peoples R China

[2] Jinan Univ, Guangdong Prov Key Lab Pharmacodynam Constituents, Guangzhou 510632, Guangdong, Peoples R China

[3] Natl Chung Hsing Univ, Grad Inst Biotechnol, Taichung 40227, Taiwan

来源：

CHEMICAL RESEARCH IN CHINESE UNIVERSITIES | 2017年 / 33卷 / 03期

基金：

中国国家自然科学基金;

关键词：

Cinobufagin; Istaroxime; Na+/K(+)ATPase; Molecular docking; BUFO-BUFO-GARGARIZANS; PROSTATE-CANCER CELLS; C-23; STEROIDS; BUFADIENOLIDES; VENOM; DIGOXIN; COMPLEX;

D O I：

10.1007/s40242-017-6487-1

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Some cinobufagin oxime ether derivatives as potential Na+/ K+-ATPase inhibitors were synthesized by following the side chain of istaroxime. These compounds inhibit Na+/ K+-ATPase in a dose-dependent manner. Compound 3c with an oxyethylamine side chain that is the same as that of istaroxime showed the most potent inhibition, which was stronger than compound 3a with only hydroxyoxime moiety at C3 and compound 3b with a methylated hydroxyoxime moiety. Molecular docking was used to explore the binding modes of the target compounds with Na+/ K+-ATPase, which suggested that the longer ethyl amine group at C3 oxime moiety of compound 3c could make stronger interaction with Na+/ K+-ATPase via intermolecular charge-charge and H-bond interaction as compared with other derivatives.

引用

页码：378 / 383

页数：6

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