Phase Transitions in Small Isotropic Bicelles

Kot, Erik F.; Goncharuk, Sergey A.; Arseniev, Alexander S.; Mineev, Konstantin S.

doi:10.1021/acs.langmuir.7b03610

Cited by 13 publications

(21 citation statements)

References 41 publications

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“…By comparing these data in the absence and presence of a membrane-active molecule, ssNMR can be used to describe the effect of SSMIs on lipids or membrane structure. NMR can also provide information to construct phase transition diagrams of model cell membranes [63], which can subsequently be used to study the effect of SMMIs on phase transition temperatures [64]. In addition, NMR can provide structural insight into the conformation of small molecules when bound at the membrane interface [65][66][67][68].…”

Section: Experimental Characterisation Of Smmismentioning

confidence: 99%

Molecular Dynamics Simulation of Small Molecules Interacting with Biological Membranes

et al. 2020

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Cell membranes protect and compartmentalise cells and their organelles. The semi-permeable nature of these membranes controls the exchange of solutes across their structure. Characterising the interaction of small molecules with biological membranes is critical to understanding of physiological processes, drug action and permeation, and many biotechnological applications. This review provides an overview of how molecular simulations are used to study the interaction of small molecules with biological membranes, with a particular focus on the interactions of water, organic compounds, drugs and short peptides with models of plasma cell membrane and stratum corneum lipid bilayers. This review will not delve on other type of membranes which might have different composition and arrangement, such as thylakoid or mitochondrial membranes. The application of unbiased molecular dynamics simulations and enhanced sampling methods such as umbrella sampling, metadynamics and replica exchange are described using key examples. This review demonstrates how state-of-the-art molecular simulations have been used successfully to describe the mechanism of binding and permeation of small molecules with biological membranes, as well as associated changes to the structure and dynamics of these membranes. The review concludes with an outlook on future directions in this field.

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Section: Experimental Characterisation Of Smmismentioning

confidence: 99%

Molecular Dynamics Simulation of Small Molecules Interacting with Biological Membranes

et al. 2020

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“…Large bicelles, formed with q > 2–3 for the most common compositions, can spontaneously orient in strong magnetic fields, and are referred to as “anisotropic”. , In turn, mixtures with smaller particles, which are not capable of such orientation, are named “isotropic bicelles” (IsoBs). The present work is focused on the smallest IsoBs with radii of 2.5–4.5 nm, which are a widely used membrane mimetic for protein structural studies with solution NMR spectroscopy. − A recent work has revealed that even the small IsoBs, providing the most narrow peaks in solution NMR spectra, contain a patch of lipid bilayer. This gives IsoBs a huge advantage over the detergent micelles, amphipols and organic solvents.…”

Section: Introductionmentioning

confidence: 99%

“…In our previous works we described the behavior of isotropic bicelles composed of various phosphatidylcholine lipids and several rim-forming agents. ,, Here we focus on bicelles composed of the less frequently used lipids: cholesterol, phosphatidylglycerols (PG), phosphatidylethanolamines (PE), phosphatidylserines (PS), sphingomyelins (SM) in both pure state and in mixtures with phosphatidylcholines (PC). We use [(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate (CHAPS) as a rim-forming surfactant.…”

Section: Introductionmentioning

confidence: 99%

Behavior of Most Widely Spread Lipids in Isotropic Bicelles

2018

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Isotropic bicelles are a widely used membrane mimetic for structural studies of membrane proteins and their transmembrane domains. Simple and cheap in preparation, they contain a patch of lipid bilayer that reproduces the native environment of membrane proteins. Despite the obvious power of bicelles in reproducing the various kinds of environments, the vast majority of structural studies employ the single lipid/detergent system. On the other hand, even if the alternative bicelle composition is used, the properties of mixtures are not characterized, and the mere presence of lipid bilayer and discoidal shape of bicelle particles is not confirmed. Here we present an extensive investigation of various bicellar mixtures and describe the behavior of bicelles with lipids other than classical DMPC, namely sphingomyelins (SM), phosphatidylethanolamines (PE), phosphatidylglycerols (PG), phosphatidylserines (PS), and cholesterol. These lipids are rarely used in modern structural biology, but can help a lot in understanding the influence of the membrane composition on the properties of both integral and peripheral membrane proteins. Additionally, the ability of diheptanoylphosphatidylcholine (DH7PC) to serve as a rim-forming agent was investigated. We followed the phase transitions as revealed by P NMR and size of particles measured byH NMR diffusion as the criteria of the proper morphology and structure of bicelles. As an outcome, we state that SM exclusively, and PG/PS in mixtures with zwitterionic lipids can form small isotropic bicelles, which reproduce the key features of lipid behavior in bilayers. Mixtures, containing exclusively the anionic lipids, fail to reveal the lipid phase transition and do not follow the size predicted for the ideal bicelle particles. PE and DH7PC are the unwanted components of bicellar mixtures, and cholesterol can be added to bicelles, however, with certain precautions. In combination with our several most recent works, this study provides a practical guide for the preparation of small isotropic bicelles.

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“…36 These data agree with previously reported T m values derived from FTIR spectroscopy of various q -value bicelles; 36 however, they do not support recent NMR data indicating similar lipid/detergent mixing in low- and high- q bicelles. 52 As the q value increased, the T m asymptotically approached the melting temperature of a pure DMPC bilayer. Only for q ≥ 1.0, a T m close to that of a pure DMPC bilayer is obtained (±1 °C) in agreement with FTIR measurements.…”

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confidence: 97%

Low-q Bicelles Are Mixed Micelles

Caldwell

Baoukina

Brock

et al. 2018

J. Phys. Chem. Lett.

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Bicelles are used in many membrane protein studies because they are thought to be more bilayer-like than micelles. We investigated the properties of "isotropic" bicelles by small-angle neutron scattering, small-angle X-ray scattering, fluorescence anisotropy, and molecular dynamics. All data suggest that bicelles with a q value below 1 deviate from the classic bicelle that contains lipids in the core and detergent in the rim. Thus not all isotropic bicelles are bilayer-like.

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Phase Transitions in Small Isotropic Bicelles

Cited by 13 publications

References 41 publications

Molecular Dynamics Simulation of Small Molecules Interacting with Biological Membranes

Molecular Dynamics Simulation of Small Molecules Interacting with Biological Membranes

Behavior of Most Widely Spread Lipids in Isotropic Bicelles

Low-q Bicelles Are Mixed Micelles

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