scholarly journals Curvature increases permeability of the plasma membrane for ions, water and the anti-cancer drugs cisplatin and gemcitabine

2019 ◽  
Author(s):  
Semen Yesylevskyy ◽  
Timothée Rivel ◽  
Christophe Ramseyer
Keyword(s):  
Molecular Dynamics ◽  
Plasma Membrane ◽  
Molecular Dynamics Simulations ◽  
Membrane Curvature ◽  
Cancer Drugs ◽  
Anti Cancer ◽  
Membrane Bending ◽  
Dynamics Simulations

ABSTRACTIn this work the permeability of a model asymmetric plasma membrane, for ions, water and the anti-cancer drugs cisplatin and gemcitabine is studied by means of all-atom molecular dynamics simulations. It is shown that permeability of the membranes increases from one to three orders of magnitude upon membrane bending depending on the compound and the sign of curvature. Our results show that the membrane curvature is an important factor which should be considered during evaluation of drug translocation.TOC GRAPHICS

scholarly journals Curvature increases permeability of the plasma membrane for ions, water and the anti-cancer drugs cisplatin and gemcitabine

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Semen Yesylevskyy ◽  
Timothée Rivel ◽  
Christophe Ramseyer
Keyword(s):  
Molecular Dynamics ◽  
Plasma Membrane ◽  
Molecular Dynamics Simulations ◽  
Membrane Curvature ◽  
Cancer Drugs ◽  
Anti Cancer ◽  
Membrane Bending ◽  
Dynamics Simulations ◽  
Curved Membrane ◽  
First Time

AbstractIn this work the permeability of a model asymmetric plasma membrane, for ions, water and the anti-cancer drugs cisplatin and gemcitabine is studied by means of all-atom molecular dynamics simulations. It is shown for the first time that permeability of the highly curved membrane increases from one to three orders of magnitude upon membrane bending depending on the compound and the sign of curvature. Our results suggest that the membrane curvature could be an important factor of drug translocation through the membrane.

scholarly journals Differences and commonalities in plasma membrane recruitment of the two morphogenetically distinct retroviruses HIV-1 and MMTV

2020 ◽  
Vol 295 (26) ◽  
pp. 8819-8833 ◽  
Author(s):  
Petra Junková ◽  
Roman Pleskot ◽  
Jan Prchal ◽  
Jakub Sýs ◽  
Tomáš Ruml
Keyword(s):  
Molecular Dynamics ◽  
Plasma Membrane ◽  
Molecular Dynamics Simulations ◽  
Hydrophobic Interactions ◽  
Membrane Binding ◽  
Membrane Topology ◽  
Membrane Targeting ◽  
Surface Mapping ◽  
Dynamics Simulations ◽  
Hiv 1

Retroviral Gag polyproteins are targeted to the inner leaflet of the plasma membrane through their N-terminal matrix (MA) domain. Because retroviruses of different morphogenetic types assemble their immature particles in distinct regions of the host cell, the mechanism of MA-mediated plasma membrane targeting differs among distinct retroviral morphogenetic types. Here, we focused on possible mechanistic differences of the MA-mediated plasma membrane targeting of the B-type mouse mammary tumor virus (MMTV) and C-type HIV-1, which assemble in the cytoplasm and at the plasma membrane, respectively. Molecular dynamics simulations, together with surface mapping, indicated that, similarly to HIV-1, MMTV uses a myristic switch to anchor the MA to the membrane and electrostatically interacts with phosphatidylinositol 4,5-bisphosphate to stabilize MA orientation. We observed that the affinity of MMTV MA to the membrane is lower than that of HIV-1 MA, possibly related to their different topologies and the number of basic residues in the highly basic MA region. The latter probably reflects the requirement of C-type retroviruses for tighter membrane binding, essential for assembly, unlike for D/B-type retroviruses, which assemble in the cytoplasm. A comparison of the membrane topology of the HIV-1 MA, using the surface-mapping method and molecular dynamics simulations, revealed that the residues at the HIV-1 MA C terminus help stabilize protein–protein interactions within the HIV-1 MA lattice at the plasma membrane. In summary, HIV-1 and MMTV share common features such as membrane binding of the MA via hydrophobic interactions and exhibit several differences, including lower membrane affinity of MMTV MA.

Optimization of hydrophobic nanoparticles to better target lipid rafts with molecular dynamics simulations

Nanoscale ◽  
2020 ◽  
Vol 12 (6) ◽  
pp. 4101-4109 ◽  
Author(s):  
Xiaoqian Lin ◽  
Xubo Lin ◽  
Ning Gu
Keyword(s):  
Molecular Dynamics ◽  
Plasma Membrane ◽  
Molecular Dynamics Simulations ◽  
Lipid Rafts ◽  
Membrane Domains ◽  
Dynamics Simulations

Due to different interactions between lipids and proteins, a plasma membrane can segregate into different membrane domains.

scholarly journals Assessing the extent of the structural and dynamic modulation of membrane lipids due to pore forming toxins: insights from molecular dynamics simulations

Soft Matter ◽  
2020 ◽  
Vol 16 (20) ◽  
pp. 4840-4857 ◽  
Author(s):  
Vadhana Varadarajan ◽  
Rajat Desikan ◽  
K. G. Ayappa
Keyword(s):  
Molecular Dynamics ◽  
Plasma Membrane ◽  
Molecular Dynamics Simulations ◽  
Bacterial Infections ◽  
Membrane Lipids ◽  
Dynamic Modulation ◽  
Structure And Dynamics ◽  
Transmembrane Pores ◽  
Dynamics Simulations

Pore forming toxins released during bacterial infections form transmembrane pores disrupting the structure and dynamics of lipids in the plasma membrane.

Sign in / Sign up

Export Citation Format

Share Document