Theoretical and experimental study of the interactions of annonaceous acetogenins with artificial lipid bilayers
| Autor: | Lilian Di Toto Blessing, Adriana Neske, José Abel Bombasaro, Ricardo D. Enriz, Fernando D. Suvire, Ana M. Rodríguez, S.B. Díaz |
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| Rok vydání: | 2011 |
| Předmět: |
Chemistry
Bilayer Organic Chemistry technology industry and agriculture Annonacin Analytical Chemistry Inorganic Chemistry Molecular dynamics chemistry.chemical_compound Membrane Biophysics Organic chemistry lipids (amino acids peptides and proteins) Lipid bilayer phase behavior Fourier transform infrared spectroscopy Lipid bilayer POPC Spectroscopy |
| Zdroj: | Journal of Molecular Structure. 1003:87-91 |
| ISSN: | 0022-2860 |
| DOI: | 10.1016/j.molstruc.2011.07.035 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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