ArticleScientific reports2020
Study of Structural stability and formation mechanisms in DSPC and DPSM liposomes: A coarse-grained molecular dynamics simulation.
Article in Scientific reports, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 44 papers.
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Who cites it
44 citing papers in PubMed.
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- Coarse-grained molecular dynamics simulation of gallic acid delivery using span60-based niosomes.Scientific reports · 2026Article
- Designing and Evaluation of a Novel IL-1RA Fusion Cytokine to Enhance the Pharmacokinetics and Receptor Affinity for Better Therapeutic Intervention in Inflammatory Disorders.Current computer-aided drug design · 2026Article
- Understanding the molecular insights of marketed liposomal drugs using molecular dynamics simulations of reduced scale coarse-grained models.npj drug discovery · 2025Article
- Enhancing the anticancer effects of rosmarinic acid in PC3 and LNCaP prostate cancer cells using titanium oxide and selenium-doped graphene oxide nanoparticles.Scientific reports · 2025Article
- Unlocking the power of membrane biophysics: enhancing the study of antimicrobial peptides activity and selectivity.Biophysical reviews · 2025Review
- Computational Methods for Modeling Lipid-Mediated Active Pharmaceutical Ingredient Delivery.Molecular pharmaceutics · 2025Review
- African walnut (Frontiers in nutrition · 2025Article
- Advancements in nanoscale delivery systems: optimizing intermolecular interactions for superior drug encapsulation and precision release.Drug delivery and translational research · 2025Review
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- Preparation irinotecan hydrochloride loaded PEGylated liposomes using novel method supercritical fluid and condition optimized by Box-Behnken design.Discover nano · 2024Article
- Beyond Skin Deep: Phospholipid-Based Nanovesicles as Game-Changers in Transdermal Drug Delivery.AAPS PharmSciTech · 2024Review
- Liposomes as Carriers of Bioactive Compounds in Human Nutrition.Foods (Basel, Switzerland) · 2024Review
- Intranasal administration enhances size-dependent pulmonary phagocytic uptake of poly(lactic-co-glycolic acid) nanoparticles.EJNMMI radiopharmacy and chemistry · 2024Article
- Liposomal Nanomaterials: A Rising Star in Glioma Treatment.International journal of nanomedicine · 2024Review
- Advanced Nanostructured Coatings Based on Doped TiOMolecules (Basel, Switzerland) · 2023Review
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Authors and funding
3 authors.
Funding
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Abstract
Liposomes or biological vesicles can be created from cholesterol, phospholipid, and water. Their stability is affected by their phospholipid composition which can influence disease treatment and drug delivery efficacy. In this study, the effect of phospholipid type on the formation and stability of liposomes using coarse-grained molecular dynamics simulations is investigated. For this purpose, the simulation study of the DSPC (1,2-distearoyl-sn-glycero-3-phosphocholine) and DPSM (Egg sphingomyelin) lipids were considered. All simulations were carried out using the Gromacs software and Martini force field 2.2. Energy minimization (3000 steps) model, equilibrium at constant volume to adjust the temperature at 400 Kelvin and equilibrium at constant pressure to adjust the pressure, at atmospheric pressure (1 bar) have been validated. Microsecond simulations, as well as formation analysis including density, radial distribution function, and solvent accessible surface area, demonstrated spherical nanodisc structures for the DPSM and DSPC liposomes. The results revealed that due to the cylindrical geometric structure and small-size head group, the DSPC lipid maintained its perfectly spherical structure. However, the DPSM lipid showed a conical geometric structure with larger head group than other lipids, which allows the liposome to form a micelle structure. Although the DSPC and DPSM lipids used in the laboratory tests exhibit liposome and micelle behaviors, the simulation results revealed their nanodisc structures. Energy analysis including overall energy, Van der Waals interaction energy, and electrostatic interaction energy showed that DPSM liposome is more stable than DSPC liposome.
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