Thermodynamic analysis of amines-lasalocid complex formation |
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Authors: | Khutorsky V E |
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Affiliation: | Chemistry Department, Ben Gurion University of the Negev, Beer-Sheva, Israel. |
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Abstract: | The ionophore lasalocid A selectively transports amines across lipid membranes. Free energy differences of amine-lasalocid complex formation reactions and the activation barriers of the complex transport were calculated by the finite difference thermodynamic integration method. Four catecholamines were treated: serotonin > dopamine > noradrenaline > adrenaline. The concept of transfer selectivity was introduced, combining binding and activation barrier selectivities. The transfer selectivities correlate well with the relative selectivities of the amines under study. |
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