Intrinsic membrane permeability to small molecules
Spontaneous solute and solvent permeation through membranes is of vital importance to
human life, be it gas exchange in red blood cells, metabolite excretion, drug/toxin uptake, or …
human life, be it gas exchange in red blood cells, metabolite excretion, drug/toxin uptake, or …
Testing physical models of passive membrane permeation
SSF Leung, J Mijalkovic, K Borrelli… - Journal of chemical …, 2012 - ACS Publications
The biophysical basis of passive membrane permeability is well-understood, but most
methods for predicting membrane permeability in the context of drug design are based on …
methods for predicting membrane permeability in the context of drug design are based on …
[HTML][HTML] Molecular simulation of nonfacilitated membrane permeation
E Awoonor-Williams, CN Rowley - Biochimica et Biophysica Acta (BBA) …, 2016 - Elsevier
This is a review. Non-electrolytic compounds typically cross cell membranes by passive
diffusion. The rate of permeation is dependent on the chemical properties of the solute and …
diffusion. The rate of permeation is dependent on the chemical properties of the solute and …
Permeability of small nonelectrolytes through lipid bilayer membranes
A Walter, J Gutknecht - The Journal of membrane biology, 1986 - Springer
Diffusion of small nonelectrolytes through planar lipid bilayer membranes (egg
phosphatidylcholine-decane) was examined by correlating the permeability coefficients of …
phosphatidylcholine-decane) was examined by correlating the permeability coefficients of …
Quantitative visualization of passive transport across bilayer lipid membranes
JMA Grime, MA Edwards, NC Rudd… - Proceedings of the …, 2008 - National Acad Sciences
The ability to predict and interpret membrane permeation coefficients is of critical
importance, particularly because passive transport is crucial for the effective delivery of …
importance, particularly because passive transport is crucial for the effective delivery of …
Physicochemical determinants of passive membrane permeability: role of solute hydrogen-bonding potential and volume
JT Goodwin, RA Conradi, NFH Ho… - Journal of medicinal …, 2001 - ACS Publications
The relationship of solute structure with cellular permeability was probed. Two series of
dipeptide mimetics consisting of glycine, alanine, valine, leucine, phenylalanine, and …
dipeptide mimetics consisting of glycine, alanine, valine, leucine, phenylalanine, and …
Correlation and prediction of mass transport across membranes I: Influence of alkyl chain length on flux‐determining properties of barrier and diffusant
GL Flynn, SH Yalkowsky - Journal of pharmaceutical sciences, 1972 - Wiley Online Library
The effect of alkyl chain length on the physicochemical properties of a series of p‐
aminobenzoate esters, determinant of the rate at which they penetrate inert barriers, was …
aminobenzoate esters, determinant of the rate at which they penetrate inert barriers, was …
Two mechanisms of permeation of small neutral molecules and hydrated ions across phospholipid bilayers
The Gibbs free energy of dipole or iron permeation of lipid bilayers is calculated as the sum
of all electrostatic, solvophobic and specific interactions. Partitioning models are consistent …
of all electrostatic, solvophobic and specific interactions. Partitioning models are consistent …
Permeation of small molecules through a lipid bilayer: a computer simulation study
D Bemporad, JW Essex, C Luttmann - The Journal of Physical …, 2004 - ACS Publications
To reach their biological target, drugs have to cross cell membranes, and understanding
passive membrane permeation is therefore crucial for rational drug design. Molecular …
passive membrane permeation is therefore crucial for rational drug design. Molecular …
Permeation process of small molecules across lipid membranes studied by molecular dynamics simulations
SJ Marrink, HJC Berendsen - The Journal of Physical Chemistry, 1996 - ACS Publications
The transport of small molecules across a phospholipid membrane is studied by molecular
dynamics simulations. The effects of size, hydrophobicity, and asphericity of the penetrants …
dynamics simulations. The effects of size, hydrophobicity, and asphericity of the penetrants …