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Cited by 12Lipid Membrane Structure and BehaviorMembrane Separation and Gas TransportAdvanced Physical and Chemical Molecular Interactions

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Chapter 3 Insights from Computer Simulations into the Interaction of Small Molecules with Lipid Bilayers

Andrew Pohorille, Michael Howard New, Karl J. Schweighofer, Michael A. Wilson·1999·Current Topics in Membranes
DOI 10.1016/s0070-2161(08)61041-2
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  • Small molecule entry dynamics should take into account specific interactions at three different depths: lipid headgroup layer, rigid hydrocarbon chain layer, and deep fluid hydrocarbon in the centre of the bilayer.

    “and that small molecule entry dynamics should take into account specific interactions at three different depths, lipid headgroup layer, rigid hydrocarbon chain layer and the deep fluid hydrocarbon in the centre of the bilayer [254].”

    From Systems protobiology: origin of life in lipid catalytic networks (2018) · cites this paper as [254]

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Research works printed but not linked: 61

  1. Alper, 1995, Orientation and diffusion of a drug analogue in biomembranes: Molecular dynamics simulations, J. Phys. Chem., 99, 5724, 10.1021/j100015a065 · DOI
  2. Baber, 1995, Distribution of general anesthetics in phospholipid bilayers determined using 2H NMR and 1H-1H NOE spectroscopy, Biochemistry, 34, 6533, 10.1021/bi00019a035 · DOI
  3. Bassolino-Klimas, 1993, Solute diffusion in lipid bilayer membranes-an atomic level study by molecular dynamics simulation, Biochemistry, 32, 12624, 10.1021/bi00210a010 · DOI
  4. Bassolino-Klimas, 1995, Mechanism of solute diffusion through lipid bilayer membranes by molecular dynamics simulation, J. Am. Chem. Soc., 117, 4118, 10.1021/ja00119a028 · DOI
  5. Brass, 1993, Hybrid Monte Carlo simulations theory and initial comparison with molecular dynamics, Biopolymers, 33, 1307, 10.1002/bip.360330815 · DOI
  6. Cantor, 1997, The lateral pressure profile in membranes: A physical mechanism of general anesthesia, Biochemistry, 36, 2339, 10.1021/bi9627323 · DOI
  7. Chipot, 1997, Interactions of anesthetics with the water-hexane interface. A molecular dynamics study, J. Phys. Chem. B, 101, 782, 10.1021/jp961513o · DOI
  8. Damodaran, 1995, Interaction of small peptides with lipid bilayers, Biophys. J., 69, 1299, 10.1016/S0006-3495(95)79997-0 · DOI
  9. Essmann, 1995, The origin of the hydration interaction of lipid bilayers from MD simulation of dipalmitoylphosphatidylcholine membranes in gel and liquid crystalline phases, Langmuir, 11, 4519, 10.1021/la00011a056 · DOI
  10. Essmann, 1995, A smooth particle mesh Ewald method, J. Chem. Phys., 103, 8577, 10.1063/1.470117 · DOI
  11. Fang, 1996, Anesth. Analg., 84, 1042, 10.1213/00000539-199705000-00017 · DOI
  12. Finkelstein, 1967, Effect of cholesterol on the water permeability of thin lipid membranes, Nature (London), 216, 717, 10.1038/216717a0 · DOI
  13. Forrest, 1994, Hybrid Monte Carlo simulations of dense polymer systems, J. Chem. Phys., 101, 2616, 10.1063/1.467634 · DOI
  14. Franks, 1994, Molecular and cellular mechanisms of general anesthesia, Nature (London), 367, 607, 10.1038/367607a0 · DOI
  15. Guillot, 1991, A computer-simulation study of hydrophobic hydration of rare gasses and of methane. I. Thermodynamic and structural properties, J. Chem. Phys., 95, 3643, 10.1063/1.460815 · DOI
  16. Hani, 1966, The permeability to water of bimolecular lipid membranes, J. Theor. Biol., 11, 1370
  17. Jorgensen, 1983, Comparison of simple potential functions for simulating liquid water, J. Chem. Phys., 79, 926, 10.1063/1.445869 · DOI
  18. Koblin, 1994, Polyhaolgenated and perfluorinated compounds that disobey the Meyer-Overton hypothesis, Anesth. Analg. (N.Y.), 79, 1043
  19. Lieb, 1969, Biological membranes behave as non-porous polymer sheets with respect to the diffusion of non-electrolytes, Nature (London), 224, 240, 10.1038/224240a0 · DOI
  20. Liu, 1994, A cutoff in potency exists in the perfluoroalkanes, Anesth. Analg. (N.Y.), 79, 238
  21. Marqusee, 1985, Solute partitioning into chain molecule interphases: Monolayers, bilayer membranes and micells, J. Chem. Phys., 85, 434, 10.1063/1.451621 · DOI
  22. Marrink, 1994, Simulation of water transport through a lipid membrane, J. Phys. Chem., 98, 4155, 10.1021/j100066a040 · DOI
  23. Marrink, 1996, Permeation process of small molecules across lipid membranes studied by molecular dynamics simulations, J. Phys. Chem., 100, 16729, 10.1021/jp952956f · DOI
  24. Marrink, 1996, Free volume properties of a simulated lipid membrane, J. Chem. Phys., 104, 9090, 10.1063/1.471442 · DOI
  25. Martyna, 1994, Constant pressure molecular dynamics algorithms, J. Chem. Phys., 101, 4177, 10.1063/1.467468 · DOI
  26. Martyna, 1996, Explicit reversible integrators for extended system dynamics, Mol. Phys., 87, 1117, 10.1080/00268979600100761 · DOI
  27. Merz, 1997, Molecular dynamics simulations of lipid bilayers, Curr. Opin. Struct. Biol., 7, 511, 10.1016/S0959-440X(97)80115-7 · DOI
  28. Meyer, 1899, Theorie der Alkoholnarkose, Arch. Exp. Pathol. Pharmakol., 42, 109, 10.1007/BF01834479 · DOI
  29. Meyer, 1937, Contributions to the Theory of Narcosis, Trans. Faraday Soc., 33, 1062, 10.1039/tf9373301062 · DOI
  30. Mihic, 1997, Molecular mechanisms of anesthetic action on ligand-gated ion channels, Neurotransmissions, 13, 1
  31. Miller, 1986, The measurement of the rate of transport of solutes in both directions across the aqueous-nonaqueous liquid interface and its significance to membrane permeability, Biochim. Biophys. Acta, 856, 27, 10.1016/0005-2736(86)90005-2 · DOI
  32. North, 1997, Contrasting membrane localization and behavior of halogenated cyclobutanes that follow or violate the Meyer-Overton hypothesis of general anesthetic potency, Biophys. J., 72, 1754, 10.1016/S0006-3495(97)78821-0 · DOI
  33. Ortells, 1995, A mixed helix-β-sheet model of the transmembrane region of the nicotinic acetylcholine receptor, Trends Neurosci., 18, 121, 10.1016/0166-2236(95)93887-4 · DOI
  34. Ortells, 1996, A mixed helix-β-sheet model of the transmembrane region of the nicotinic acetylcholine receptor, Protein Eng., 9, 51, 10.1093/protein/9.1.51 · DOI
  35. Ortells, 1997, Molecular modelling of the nicotinic acetylcholine receptor transmembrane region in the open state, Prot. Eng., 10, 511, 10.1093/protein/10.5.511 · DOI
  36. Overton, 1899, Vierteljahrsschr. Naturforsch. Ges. Zuerich, 44, 88
  37. Pohorille, 1990, Cavities in molecular liquids and the theory of hydrophobic solubilities, J. Am. Chem. Soc., 112, 5066, 10.1021/ja00169a011 · DOI
  38. Pohorille, 1993, Viewpoint 9-Molecular structure of aqueous interfaces, J. Mol. Struct.(Theochem.), 284, 271, 10.1016/0166-1280(93)87010-B · DOI
  39. Pohorille, 1996, Excess free energy of small solutes across watermembrane and water-hexane interfaces, J. Chem. Phys., 104, 3760, 10.1063/1.471030 · DOI
  40. Pohorille, 1996, Interactions of anesthetics with the membrane-water interface, Chem. Phys., 204, 337, 10.1016/0301-0104(95)00292-8 · DOI
  41. Pohorille, 1997, Interaction of alcohols and anesthetics with the water-hexane interface: A molecular dynamics study, Prog. Colloid Polym. Sci., 103, 29, 10.1007/3-798-51084-9_4 · DOI
  42. Pohorille, 1998, Concentrations of anesthetics across the water-membrane interface; the Meyer-Overton hypothesis revisited, Toxicology Lett., 100-101, 421, 10.1016/S0378-4274(98)00216-1 · DOI
  43. Pratt, 1992, Theory of hydrophobicity-transient cavities in molecular liquids, Proc. Natl. Acad. Sci. U.S.A., 89, 2995, 10.1073/pnas.89.7.2995 · DOI
  44. Qin, 1995, Anesthetics reduce the magnitude of the membrane dipole potential-measurements in lipid vesicles using voltage-sensitive spin probes, Biochemistry, 34, 5536, 10.1021/bi00016a027 · DOI
  45. Roux, 1994, Molecular dynamics simulations of the gramicidin channel, Annu. Rev. Biophys. Biomol. Struct., 23, 731, 10.1146/annurev.bb.23.060194.003503 · DOI
  46. Saffron, 1997, The cholesterol dependence of activation and fast desensitization of the nicotinic acetylcholine receptor, Biophys. J., 73, 2446, 10.1016/S0006-3495(97)78273-0 · DOI
  47. Sankararamakrishnan, 1996, The pore domain of the nicotinic acetylcholine receptor: Molecular modeling pore dimensions, and electrostatics, Biophys. J., 71, 1659, 10.1016/S0006-3495(96)79370-0 · DOI
  48. Shen, 1997, Transmembrane helix structure, dynamics, and interactions: Multi-nanosecond, molecular dynamics simulations, Biophys. J., 73, 3, 10.1016/S0006-3495(97)78042-1 · DOI
  49. Simon, 1977, A thermodynamic study of the partition of n-hexane into phosphatidylcholine and phosphatidylcholine-cholesterol bilayers, Biochim. Biophys. Acta, 468, 378, 10.1016/0005-2736(77)90289-9 · DOI
  50. Stouch, 1997, Solute transport and partitioning in lipid bilayers: Molecular dynamics simulations, Prog. Colloid Polym. Sci., 103, 116, 10.1007/3-798-51084-9_13 · DOI
  51. Tang, 1997, Different distribution of fluorinated anesthetics and nonanesthetics in model membrane: A 19F NMR study, Biophys. J., 72, 1676, 10.1016/S0006-3495(97)78813-1 · DOI
  52. Tieleman, 1997, A computer perspective of membranes: Molecular dynamics studies of lipid bilayer systems, Biochim. Biophys. Acta, 1331, 235, 10.1016/S0304-4157(97)00008-7 · DOI
  53. Tikhonov, 1998, Kinked-helices model of the nicotinic acetylcholine receptor ion channel and its complexes with blockers: Simulation by the Monte Carlo minimization method, Biophys. J., 74, 242, 10.1016/S0006-3495(98)77783-5 · DOI
  54. Tobias, 1997, Assessment of all-atom potentials for modeling membranes: Molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments, J. Chim. Phys. Phys.-Chim. Biol., 94, 1482, 10.1051/jcp/1997941482 · DOI
  55. Tu, 1996, Molecular dynamics investigation of the structure of a fully hydrated gel-phase dipalmitoylphosphatidylcholine bilayer, Biophys. J., 70, 595, 10.1016/S0006-3495(96)79623-6 · DOI
  56. Widom, 1963, Some topics in the theory of fluids, J. Chem. Phys., 39, 2808, 10.1063/1.1734110 · DOI
  57. Widom, 1982, Potential distribution theory and the statistical mechanics of fluids, J. Phys. Chem., 86, 869, 10.1021/j100395a005 · DOI
  58. Wilson, 1994, Molecular dynamics of a water-lipid bilayer interface, J. Am. Chem. Soc., 116, 1490, 10.1021/ja00083a038 · DOI
  59. Xiang, 1994, The relationship between permeant size and permeability in lipid bilayer membranes, J. Membr. Biol., 140, 111, 10.1007/BF00232899 · DOI
  60. Xiang, 1994, Molecular distributions in interphases-statistical mechanical theory combined with molecular dynamics simulation of a model lipid bilayer, Biophys. J., 66, 561, 10.1016/S0006-3495(94)80833-1 · DOI
  61. Xu, 1997, Amphiphilic sites for general anesthetic action? Evidence from 129Xe-1OH intermolecular nuclear Overhauser effects, Biochim. Biophys. Acta, 1323, 154, 10.1016/S0005-2736(96)00184-8 · DOI

Metadata

Authors
Pohorille, A., New, M. H., Schweighofer, K. J., & Wilson, M. A.
Affiliations
  • Ames Research Center (US)
  • University of California, San Francisco (US)
ORCID
Venue
Current Topics in Membranes
Publisher
Elsevier
Published
1999
Pages
49-76
ISSN
1063-5823 (ISSN-L)
DOI
10.1016/s0070-2161(08)61041-2
OpenAlex
W1524449994
Cited by
12
References
1
Citations by year
2022: 1
FWCI
0.93
Type
book chapter
Language
en
Open access
closed
Licence
Locations
Current topics in membranes (publishedVersion)
Funders
  • National Aeronautics and Space Administration
  • National Institutes of Health
  • National Cancer Institute
Topics
  • Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Lipid Membrane Structure and Behavior
  • Physical Sciences › Chemical Engineering › Filtration and Separation › Membrane Separation and Gas Transport
  • Physical Sciences › Chemistry › Physical and Theoretical Chemistry › Advanced Physical and Chemical Molecular Interactions
Keywords
lipid bilayers, molecular dynamics simulation, membrane diffusion coefficient, membrane heterogeneity, lipid head groups

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