Vesicles: self-assembly beyond biological lipids

Sapala, Appa Rao; Dhawan, Sameer; Haridas, V.

doi:10.1039/c7ra02746j

Cited by 23 publications

(12 citation statements)

References 114 publications

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“…During the assembly of the lipids, many short-range and long-range interactions are formed and so significant energy is released. Non-covalent interactions include hydrogen bonds and hydrophobic interactions have a critical role in the assembly of lipids 38 . Lipids, depending on their properties and concentrations, can form different types of assembly structures in the water.…”

Section: Resultsmentioning

confidence: 99%

Design and simulation of the liposomal model by using a coarse-grained molecular dynamics approach towards drug delivery goals

Parchekani

Allahverdi

Taghdir

et al. 2022

Sci Rep

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The simulated liposome models provide events in molecular biological science and cellular biology. These models may help to understand the cell membrane mechanisms, biological cell interactions, and drug delivery systems. In addition, the liposomes model may resolve specific issues such as membrane transports, ion channels, drug penetration in the membrane, vesicle formation, membrane fusion, and membrane protein function mechanism. One of the approaches to investigate the lipid membranes and the mechanism of their formation is by molecular dynamics (MD) simulations. In this study, we used the coarse-grained MD simulation approach and designed a liposome model system. To simulate the liposome model, we used phospholipids that are present in the structure of natural cell membranes (1,2-Dioleoyl-sn-glycero-3-phosphocholine (DOPC) and 1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE)). Simulation conditions such as temperature, ions, water, lipid concentration were performed based on experimental conditions. Our results showed a liposome model (ellipse vesicle structure) during the 2100 ns was formed. Moreover, the analysis confirmed that the stretched and ellipse structure is the best structure that could be formed. The eukaryotic and even the bacterial cells have elliptical and flexible structures. Usually, an elliptical structure is more stable than other assembled structures. The results indicated the assembly of the lipids is directed through short-range interactions (electrostatic interactions and, van der Waals interactions). Total energy (Van der Waals and electrostatic interaction energy) confirmed the designed elliptical liposome structure has suitable stability at the end of the simulation process. Our findings confirmed that phospholipids DOPC and DOPE have a good tendency to form bilayer membranes (liposomal structure) based on their geometric shapes and chemical-physical properties. Finally, we expected the simulated liposomal structure as a simple model to be useful in understanding the function and structure of biological cell membranes. Furthermore, it is useful to design optimal, suitable, and biocompatible liposomes as potential drug carriers.

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Section: Resultsmentioning

confidence: 99%

Design and simulation of the liposomal model by using a coarse-grained molecular dynamics approach towards drug delivery goals

Parchekani

Allahverdi

Taghdir

et al. 2022

Sci Rep

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“…The dynamics were recapitulated in the rapid response of the membranes to changes in their environment . Others have introduced the use of lipid‐like peptides and other building blocks that self‐assemble into bilayers as a model for dynamic membranes …”

Section: Methodsmentioning

confidence: 99%

“…[9,10] Others have introduced the use of lipid-like peptides and other building blocks that self-assemble into bilayers as a model for dynamic membranes. [11][12][13][14] Another approach to the creation of dynamic assemblies which researchers have explored is the use of dissipative selfassembly. In this form of non-equilibrium self-assembly, the dynamics of the assembly process are regulated by fuel-driven chemical reaction cycles.…”

Section: Dynamic Vesicles Formed By Dissipative Self-assemblymentioning

confidence: 99%

Dynamic Vesicles Formed By Dissipative Self‐Assembly

et al. 2019

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Synthetic lipid membranes have served as important models for cellular membranes. However, these static membranes do not recapitulate the dynamic nature of the biological membranes which are frequently remodeled to support cellular function. An ideal membrane model would thus also display dynamic exchange of lipids. In this work, we achieve such a system by coupling the self‐assembly of peptides into membranes with a chemical reaction cycle. The reaction cycle activates and deactivates the peptides for self‐assembly at the expense of a chemical fuel. The resulting membranes are dynamically remodeled, and, over their 40 min lifetime, they emerge, grow, and are torn apart before they eventually decay.

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“…9 Amino acid based self-assembled structure formed various types of morphology at supramolecular level due to its amphiphilic character. 10 The shape of the self-assembled structure may be the fibers, [11][12][13] rod, 14,15 spherical, 16,17 micelles, 18 tube, 19 broomstick and elongated fibers, 20 and vesicles 21 etc. Amino acids based selfassembled structures have also received tremendous attention due to their association with amyloid disease which can open new avenues for understanding the role of single amino aggregation in amyloid disease.…”

Section: Introductionmentioning

confidence: 99%

Self-assembled Structures Formed by Fmoc modified aliphatic amino acids

Gour

Koshti

Naskar

et al. 2021

Preprint

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We report the self-assembled structures formed by Fmoc modified aliphatic uncharged single amino acids. The self-assembling properties of (((9H-fluoren-9-yl)methoxy)carbonyl)-L-alanine (Fmoc-Ala-OH), (((9H-fluoren-9-yl)methoxy)carbonyl)-L-leucine (Fmoc-Leu-OH), (((9H-fluoren-9-yl)methoxy)carbonyl)-L-isoleucine (Fmoc-Ile-OH), and (((9H-fluoren-9-yl)methoxy)carbonyl)-L-valine (Fmoc-Val-OH) were studied under varying conditions such as concentration and temperature. Fmoc-Ala-OH shows flower-like self-assembled structure at both low and high concentration under room temperature as well as on heating at 70ºC. We also studied self-assembly of the modified branched chain amino acids (BCAA) i.e. Fmoc-Leu-OH, Fmoc-Ile-OH, and Fmoc-Val-OH. Fmoc-Leu-OH forms flower-like morphology at both low and high concentration under room temperature which changes to small tube-like structure on heating. Fmoc-Ile-OH on the other hand shows fibres-like self-assembly at lower and higher concentration at room temperature. While, on heating at lower concentration they formed a tube like self-assembled structure and at higher concentration they formed a fibres-like morphology. In the case of Fmoc-Val-OH they form a flower-like morphology at lower concentration at room temperature and at higher concentration they formed fibres-like assembly at room temperature. On the other hand, on heating Fmoc-Val-OH shows a fibres-like assembly at lower and higher concentration. Once the self-assembled structure of all Fmoc single amino acid characterized through the optical microscopy then our future aims to characterized those self-assembled structure through sophisticated microscopy and spectroscopy techniques and understand the mechanisms of self-assembled structure. Hence, the modified amino acids may pave the way for the design of novel self-assembled architectures which can be controllable manipulated to impart desired function..

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Vesicles: self-assembly beyond biological lipids

Abstract: This review presents an overview of synthetic systems that self-assemble to form vesicles.

Cited by 23 publications

References 114 publications

Design and simulation of the liposomal model by using a coarse-grained molecular dynamics approach towards drug delivery goals

Design and simulation of the liposomal model by using a coarse-grained molecular dynamics approach towards drug delivery goals

Dynamic Vesicles Formed By Dissipative Self‐Assembly

Self-assembled Structures Formed by Fmoc modified aliphatic amino acids

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