Theoretical and experimental study of the interactions of annonaceous acetogenins with artificial lipid bilayers

被引：11

作者：

Bombasaro, Jose A. ^{[1
]}

Di Toto Blessing, Lilian ^{[2
]}

Diaz, Sonia ^{[3
]}

Neske, Adriana ^{[2
]}

Suvire, Fernando D. ^{[1
]}

Enriz, Ricardo D. ^{[1
]}

Rodriguez, Ana M. ^{[1
]}

机构：

[1] Univ Nacl San Luis, Fac Quim Bioquim & Farm, Dept Quim, RA-5700 San Luis, Argentina

[2] Univ Nacl Tucuman, Fac Bioquim Quim & Farm, Inst Quim Organ, RA-4000 San Miguel De Tucuman, Argentina

[3] Univ Nacl Tucuman, Fac Bioquim Quim & Farm, Inst Quim Fis, RA-4000 San Miguel De Tucuman, Argentina

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2011年 / 1003卷 / 1-3期

关键词：

Annonaceous acetogenin; Lipid membrane; POPC; FTIR spectroscopy; Molecular dynamics; MITOCHONDRIAL COMPLEX-I; MOLECULAR-DYNAMICS SIMULATIONS; TETRAHYDROFURANIC ACETOGENINS; RECENT PROGRESS; INHIBITION; PHOSPHATIDYLCHOLINES; SPECTROSCOPY; DERIVATIVES; MEMBRANES; ANALOGS;

D O I：

10.1016/j.molstruc.2011.07.035

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We report here experimental (FTIR) results and molecular dynamics simulations of the interactions of acetogenins with artificial lipid bilayers. FTIR results indicated that acetogenins interact to different extents with the phosphate and carbonyl groups of membranes in the liquid crystalline state. In this work, molecular dynamics simulations of annonacin (1) and rolliniastatin-1 (2) in a fully hydrated POPC bilayer were performed in order to investigate the effects caused by these compounds on the hydration patterns surrounding the headgroups of the lipid membrane. Our results enhanced the understanding of the action mechanism of acetogenins in the membrane environment. (C) 2011 Elsevier B.V. All rights reserved.

引用

页码：87 / 91

页数：5

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