Cholesterol Stiffening of Lipid Membranes

Doole, Fathima T.; Kumarage, Teshani; Ashkar, Rana; Brown, Michael F.

doi:10.1007/s00232-022-00263-9

Cited by 38 publications

(27 citation statements)

References 153 publications

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“…The bending stiffness of membranes has been actively researched for decades, and important fundamental work has been published relating the effect of parameters including composition, membrane thickness, and surface charge on continuum membrane properties. [206][207][208] However, to the best of our knowledge, the literature is still sparse regarding the quantitative relationships and the possible cooperative effects of these features on the bending modulus. A better understanding of these physical properties will allow for more precise manipulation of the assembled structures.…”

Section: Discussionmentioning

confidence: 99%

“…For instance, the bending rigidity and elasticity of self‐assembled structures play an important role in controlling the shape, because they describe the sensitivity of structures subject to environmental fluctuation. The bending stiffness of membranes has been actively researched for decades, and important fundamental work has been published relating the effect of parameters including composition, membrane thickness, and surface charge on continuum membrane properties 206–208 . However, to the best of our knowledge, the literature is still sparse regarding the quantitative relationships and the possible cooperative effects of these features on the bending modulus.…”

Section: Discussionmentioning

confidence: 99%

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Simulations of morphology control of self‐assembled amphiphilic surfactants

Zhu

Tree

2023

Journal of Polymer Science

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One of the grand challenges of amphiphilic self‐assembly is the design of ordered structures whose morphology or shape can be explicitly and dynamically controlled by adjusting the properties of the amphiphiles or their surroundings. Such a capacity would enable researchers to create synthetic systems with functionality that meets or exceeds biological cells, and provide a robust platform for a broad range of engineering applications such as artificial tissues, drug delivery, and separation membranes. Despite significant progress, important fundamental questions remain unanswered, due in part to the limited resolution and the restricted parameter spaces that are readily accessible in experiments. Computational studies thus provide an important complement to experiments, enabling in‐depth insight into underlying mechanisms and an exploration of the parameter spaces for behavior that has not yet been achieved in experiments. In this review, we briefly introduce fundamental concepts and pertinent experiments related to dynamic shape modulation in self‐assembled amphiphiles. Then, in the bulk of the review, we survey the most influential simulation studies that investigate and identify approaches to control the self‐assembled shape of amphiphiles, with an emphasis on kinetic and mechanical effects. Finally, we conclude with a perspective on future research directions in this exciting field.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Simulations of morphology control of self‐assembled amphiphilic surfactants

Zhu

Tree

2023

Journal of Polymer Science

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“…In eukaryotes, sterols such as cholesterol are ubiquitous in modulating membrane order, yet they are usually absent or rare in prokaryotes and intracellular membranes. The effects of cholesterol on mammalian lipid bilayer or membrane proteins have been well studied both computationally [185][186][187][188][189][190][191] and experimentally, [192][193][194][195] suggesting an essential role of cholesterol in regulating the order, dynamics, and other physicochemical properties of membranes. For example, the binary and ternary phase diagrams of bilayers in the presence of varying concentrations of cholesterol have been well studied by using CG simulations with the MARTINI force field.…”

Section: Membrane Compositional and Structural Complexitymentioning

confidence: 99%

“…Additionally, lipids constitute the matrix or scaffold of cell membranes and exhibit a notable diversity in the types of molecules interacting with proteins. 187,233,234 Lipid-protein interactions are the main determinants of cell membrane structure and function, 235 and MD simulations have been widely applied to address the lipid-mediated modulation of membrane protein function. Among the lipids, PIP2 impacts the stability of the active state of the adenosine A2a receptor, a class A GPCR, and enhances the association of receptors with G proteins.…”

Section: Lipid-mediated Modulation Of Membrane Protein Functionmentioning

confidence: 99%

Application of computational approaches in biomembranes: From structure to function

Guo

Bao

et al. 2023

WIREs Comput Mol Sci

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Biological membranes (biomembranes) are one of the most complicated structures that allow life to exist. Investigating their structure, dynamics, and function is crucial for advancing our knowledge of cellular mechanisms and developing novel therapeutic strategies. However, experimental investigation of many biomembrane phenomena is challenging due to their compositional and structural complexity, as well as the inherently multi‐scalar features. Computational approaches, particularly molecular dynamics (MD) simulations, have emerged as powerful tools for addressing the atomic details of biomembrane systems, driving breakthroughs in our understanding of biomembranes and their roles in cellular function. This review presents an overview of the latest advancements in related computational approaches, from force fields and model construction to MD simulations and trajectory analysis. We also discussed current hot research topics and challenges. Finally, we outline future directions, emphasizing the integration of force field development, enhanced sampling techniques, and data‐driven approaches to accelerate the growth of this field in the years to come. We aim to equip readers with an understanding of the promise and limitations of emerging computational technologies in biomembrane systems and offer valuable recommendations for future research endeavors.This article is categorized under: Structure and Mechanism > Computational Biochemistry and Biophysics Molecular and Statistical Mechanics > Molecular Dynamics and Monte‐Carlo Methods

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“…[3][4][5] Noteworthily, in case of solid-state 2 H NMR spectroscopy and X-ray scattering techniques, multilamellar vesicles (MLVs) are used. 6,7 On the other hand, coarse-gained simulation and allatomistic molecular dynamics (MD) simulations are two common simulation approaches for measuring the bending rigidity. 5,8 Bending rigidity measurements provide valuable and interesting information for understanding lipid bilayer organization concerning modifications involving lipids, salt, or surface charge, as well as the nature of interactions between lipid bilayers and additives or inclusions such as cholesterol and sugar.…”

Section: Introductionmentioning

confidence: 99%