Intrinsic membrane permeability to small molecules

C Hannesschlaeger, A Horner, P Pohl - Chemical reviews, 2019 - ACS Publications
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 …

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 …

[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 …

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 …

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 …

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 …

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 …

Two mechanisms of permeation of small neutral molecules and hydrated ions across phospholipid bilayers

AG Volkov, S Paula, DW Deamer - Bioelectrochemistry and bioenergetics, 1997 - Elsevier
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 …

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 …

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 …