Research output: Contribution to Journal/Magazine › Journal article › peer-review
Research output: Contribution to Journal/Magazine › Journal article › peer-review
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TY - JOUR
T1 - Ion transport through chemically induced pores in protein-free phospholipid membranes
AU - Gurtovenko, Andrey A.
AU - Anwar, Jamshed
PY - 2007/11/29
Y1 - 2007/11/29
N2 - We address the possibility of being able to induce the trafficking of salt ions and other solutes across cell membranes without the use of specific protein-based transporters or pumps. On the basis of realistic atomic-scale molecular dynamics simulations, we demonstrate that transmembrane ionic leakage can be initiated by chemical means, in this instance through addition of dimethyl sulfoxide (DMSO), a solvent widely used in cell biology. Our results provide compelling evidence that the small amphiphilic solute DMSO is able to induce transient defects (water pores) in membranes and to promote a subsequent diffusive pore-mediated transport of salt ions. The findings are consistent with available experimental data and offer a molecularlevel explanation for the experimentally observed activities of DMSO solvent as an efficient penetration enhancer and a cryoprotectant, as well as an analgesic. Our findings suggest that transient pore formation by chemical means could emerge as an important general principle for therapeutics.
AB - We address the possibility of being able to induce the trafficking of salt ions and other solutes across cell membranes without the use of specific protein-based transporters or pumps. On the basis of realistic atomic-scale molecular dynamics simulations, we demonstrate that transmembrane ionic leakage can be initiated by chemical means, in this instance through addition of dimethyl sulfoxide (DMSO), a solvent widely used in cell biology. Our results provide compelling evidence that the small amphiphilic solute DMSO is able to induce transient defects (water pores) in membranes and to promote a subsequent diffusive pore-mediated transport of salt ions. The findings are consistent with available experimental data and offer a molecularlevel explanation for the experimentally observed activities of DMSO solvent as an efficient penetration enhancer and a cryoprotectant, as well as an analgesic. Our findings suggest that transient pore formation by chemical means could emerge as an important general principle for therapeutics.
KW - LIPID-MEMBRANES
KW - PARTICLE MESH EWALD
KW - COMPUTER-SIMULATIONS
KW - BILAYERS
KW - MOLECULAR-DYNAMICS SIMULATIONS
KW - FREE-ENERGY
KW - DIMETHYL-SULFOXIDE
KW - CHARGE IMBALANCE
KW - DIMETHYLSULFOXIDE
KW - TEMPERATURE
U2 - 10.1021/jp075631v
DO - 10.1021/jp075631v
M3 - Journal article
VL - 111
SP - 13379
EP - 13382
JO - Journal of Physical Chemistry B
JF - Journal of Physical Chemistry B
SN - 1520-6106
IS - 47
ER -