Alkaloids from Hippeastrum argentinum and Their Cholinesterase-Inhibitory Activities: An in Vitro and in Silico Study

被引：32

作者：

Ortiz, Javier E. ^{[1
]}

Pigni, Natalia B. ^{[2
,3
]}

Andujar, Sebastian A. ^{[4
]}

Roitman, German ^{[5
]}

Suvire, Fernando D. ^{[4
]}

Enriz, Ricardo D. ^{[4
]}

Tapia, Alejandro ^{[1
]}

Bastida, Jaume ^{[2
]}

Feresin, Gabriela E. ^{[1
]}

机构：

[1] Univ Nacl San Juan, Fac Ingn, Inst Biotecnol, Ave Libertador Gen San Martin 1109 O, RA-5400 San Juan, Argentina

[2] Univ Barcelona, Fac Farm, Dept Prod Nat Biol Vegetal & Edafol, Ave Joan 23 S-N, E-08028 Barcelona, Spain

[3] Univ Nacl Cordoba, ICYTAC CONICET, Dept Quim Organ, Fac Ciencias Quim, RA-5000 Cordoba, Argentina

[4] Univ Nacl San Luis, Fac Quim Bioquim & Farm, Chacabuco 915, RA-5700 San Luis, Argentina

[5] Univ Buenos Aires, Fac Agron, Catedra Jardineria, Ave San Martin 4453, RA-1417 Buenos Aires, DF, Argentina

来源：

JOURNAL OF NATURAL PRODUCTS | 2016年 / 79卷 / 05期

关键词：

ALZHEIMERS-DISEASE; AMARYLLIDACEAE ALKALOIDS; SWISS-MODEL; NARCISSUS ALKALOIDS; ACETYLCHOLINESTERASE; DERIVATIVES; VITTATUM; DOCKING; FLEXIBILITY; ENVIRONMENT;

D O I：

10.1021/acs.jnatprod.5b00785

中图分类号：

Q94 [植物学];

学科分类号：

071001 ;

摘要：

Two new alkaloids, 4-O-methylnangustine (1) and 7-hydroxyclivonine (2) (montanine and homolycorine types, respectively), and four known alkaloids were isolated from the bulbs of Hippeastrum argentinum, and their cholinesterase inhibitory activities were evaluated. These compounds were identified using GC-MS, and their structures were defined by physical data analysis. Compound 2 showed weak butyrylcholinesterase (BuChE)-inhibitory activity, with a half-maximal inhibitory concentration (IC50) value of 67.3 +/- 0.09 mu M. To better understand the experimental results, a molecular modeling study was also performed. The combination of a docking study, molecular dynamics simulations, and quantum theory of atoms in molecules calculations provides new insight into the molecular interactions of compound 2 with BuChE, which were compared to those of galantamine.

引用

页码：1241 / 1248

页数：8

共 50 条

[1] CLIVONIDINE, A NEW ALKALOID FROM CLIVIA-MINIATA [J].