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V E Khutorsky

Publications and source records attributed to V E Khutorsky.

4 recordsLinked to original sources
PubMed1997

Thermodynamic analysis of amines-lasalocid complex formation.

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.

Journal Article↗
PubMed1995

Fitness of amines for pseudocyclic conformation of lasalocid A.

Ionophore lasalocid A selectively transports amines across lipid membranes. The structures of amine-lasalocid complexes were calculated by a molecular mechanics technique. Four typical catecholamines were considered: serotonin, dopamine, noradrenaline and adrenaline. The fitness energy was introduced consisting of tension energies of amine and ionophore and the interaction energy between them. Four fitted complexes of the first three amines and two of the last one were found. They are characterized by interaction between lasalocid ligand oxygens and amine ammonium groups, and also between their aromatic rings. The fitness energy increase correlates well with the decrease of the transportation rate in the considered sequence of amines.

Catecholamines↗
PubMed1992

Structures of amphotericin B-cholesterol complex.

The structures of amphotericin B-cholesterol complex that forms a channel in a lipid membrane were analysed by molecular mechanics calculations. The symmetric complex consisting of eight rigid antibiotic and cholesterol molecules was considered. The presence of a continuous set of low-energy states of the complex with different values of the channel diameter was shown. These states are characterized by significant tilt of the amphotericin planes to the radial axis of the channel and by strong interaction between the charged ammonium and carboxyl groups of the antibiotic. Changes of the channel diameter may result in changes in pore permeability.

Amphotericin B↗