Membrane Permeability of Terpenoids Explored with Molecular Simulation
نویسندگان
چکیده
منابع مشابه
Molecular basis of bacterial outer membrane permeability.
INTRODUCTION Bacteria produce cell walls with the exception of mycoplasmas, and the cell wall component common to all eubacteria is the murein, or the peptidoglycan, which contributes mechanical rigidity. All gram-negative bacteria contain an additional layer in the cell wall structure, i.e., the outer membrane, which is located outside the peptidoglycan layer and shows up as a trilaminar struc...
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Gram-negative bacteria characteristically are surrounded by an additional membrane layer, the outer membrane. Although outer membrane components often play important roles in the interaction of symbiotic or pathogenic bacteria with their host organisms, the major role of this membrane must usually be to serve as a permeability barrier to prevent the entry of noxious compounds and at the same ti...
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Membrane proteins play crucial roles in a range of biological processes. High resolution structures provide insights into the functional mechanisms of membrane proteins, but detailed biophysical characterization of membrane proteins is difficult. Complementary to experimental techniques, molecular dynamics simulations is a powerful tool in providing more complete description of the dynamics and...
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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 the composition of the lipid bilayer membrane. Predicting the permeability coefficient of a solute is important in pharmaceutical chemistry and toxicology. Molecular simulation has proven to be a valuable tool for mode...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2018
ISSN: 1520-6106,1520-5207
DOI: 10.1021/acs.jpcb.8b08688