Lipid Membrane Permeability of 2′-Modified Derivatives of Phosphorothioate Oligonucleotides

1994 ◽  
Vol 83 (4) ◽  
pp. 597-600 ◽  
Author(s):  
Jeffrey A. Hughes ◽  
C. Frank Bennett ◽  
P. Dan Cook ◽  
Charles J. Guinosso ◽  
Christopher K. Mirabelli ◽  
...  
ACS Nano ◽  
2017 ◽  
Vol 11 (12) ◽  
pp. 12553-12561 ◽  
Author(s):  
Andrea Torchi ◽  
Federica Simonelli ◽  
Riccardo Ferrando ◽  
Giulia Rossi

2009 ◽  
Vol 96 (3) ◽  
pp. 160a
Author(s):  
Andreas Blicher ◽  
Katarzyna Wodzinska ◽  
Thomas Heimburg

2021 ◽  
Vol 118 (33) ◽  
pp. e2105913118
Author(s):  
Xingda An ◽  
Ayan Majumder ◽  
James McNeely ◽  
Jialing Yang ◽  
Taranee Puri ◽  
...  

Lipid-coated noble metal nanoparticles (L-NPs) combine the biomimetic surface properties of a self-assembled lipid membrane with the plasmonic properties of a nanoparticle (NP) core. In this work, we investigate derivatives of cholesterol, which can be found in high concentrations in biological membranes, and other terpenoids, as tunable, synthetic platforms to functionalize L-NPs. Side chains of different length and polarity, with a terminal alkyne group as Raman label, are introduced into cholesterol and betulin frameworks. The synthesized tags are shown to coexist in two conformations in the lipid layer of the L-NPs, identified as “head-out” and “head-in” orientations, whose relative ratio is determined by their interactions with the lipid–water hydrogen-bonding network. The orientational dimorphism of the tags introduces orthogonal functionalities into the NP surface for selective targeting and plasmon-enhanced Raman sensing, which is utilized for the identification and Raman imaging of epidermal growth factor receptor–overexpressing cancer cells.


2009 ◽  
Vol 96 (11) ◽  
pp. 4581-4591 ◽  
Author(s):  
Andreas Blicher ◽  
Katarzyna Wodzinska ◽  
Matthias Fidorra ◽  
Mathias Winterhalter ◽  
Thomas Heimburg

2021 ◽  
Author(s):  
Luis Borges-Araújo ◽  
Paulo Souza ◽  
Fábio Fernandes ◽  
Manuel N. Melo

Phosphoinositides are a family of membrane phospholipids that play crucial roles in membrane regulatory events. As such, these lipids are often a key part of molecular dynamics simulation studies of biological membranes, in particular of those employing coarse-grain models because of the potential long times and sizes of the involved membrane processes. Version 3 of the widely used Martini coarse grain force field has been recently published, greatly refining many aspects of biomolecular interactions. In order to properly use it for lipid membrane simulations with phosphoinositides, we put forth the Martini 3-specific parameterization of inositol, phosphatidylinositol, the seven physiologically relevant phosphorylated derivatives of phosphatidylinositol. Compared to parameterizations for earlier Martini versions, focus was put on a more accurate reproduction of the behavior seen in both atomistic simulations and experimental studies, including the signaling relevant phosphoinositide interaction with divalent cations. The models we develop improve upon the conformational dynamics of phosphoinositides in the Martini force field and provide stable topologies at typical Martini timesteps. They are able to reproduce experimentally known protein-binding poses as well as phosphoinositide aggregation tendencies. The latter were tested both in the presence and absence of calcium, and include correct behavior of PI(4,5)P2 calcium-induced clusters, which can be of relevance for regulation.


2011 ◽  
Vol 83 (23) ◽  
pp. 8877-8885 ◽  
Author(s):  
Phillip Kuhn ◽  
Klaus Eyer ◽  
Steffen Allner ◽  
Dario Lombardi ◽  
Petra S. Dittrich

2021 ◽  
Author(s):  
Luis Borges-Araújo ◽  
Paulo Souza ◽  
Fábio Fernandes ◽  
Manuel N. Melo

Phosphoinositides are a family of membrane phospholipids that play crucial roles in membrane regulatory events. As such, these lipids are often a key part of molecular dynamics simulation studies of biological membranes, in particular of those employing coarse-grain models because of the potential long times and sizes of the involved membrane processes. Version 3 of the widely used Martini coarse grain force field has been recently published, greatly refining many aspects of biomolecular interactions. In order to properly use it for lipid membrane simulations with phosphoinositides, we put forth the Martini 3-specific parameterization of inositol, phosphatidylinositol, the seven physiologically relevant phosphorylated derivatives of phosphatidylinositol. Compared to parameterizations for earlier Martini versions, focus was put on a more accurate reproduction of the behavior seen in both atomistic simulations and experimental studies, including the signaling relevant phosphoinositide interaction with divalent cations. The models we develop improve upon the conformational dynamics of phosphoinositides in the Martini force field and provide stable topologies at typical Martini timesteps. They are able to reproduce experimentally known protein-binding poses as well as phosphoinositide aggregation tendencies. The latter were tested both in the presence and absence of calcium, and include correct behavior of PI(4,5)P2 calcium-induced clusters, which can be of relevance for regulation.


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