ArticleBiophysical journal2011
Structural effects and translocation of doxorubicin in a DPPC/Chol bilayer: the role of cholesterol.
Article in Biophysical journal, 2011. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 20 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
20 citing papers in PubMed, 63 citations in OpenAlex.
- Doxorubicin-driven reconfiguration of BSA-cushioned DPPC liposomes an integrated molecular-dynamics and AFM roadmap for next-generation drug-delivery platforms.Nanoscale advances · 2026Article
- Quantifying Small-Molecule Association with Lipid Membranes: Methods, Models, and Limitations.Membranes · 2026Review
- Synergistic Effect of Paclitaxel and Epirubicin Coadministration─Insight into the Mechanisms of Interactions with Model Breast Cancer Cell Membranes.Langmuir : the ACS journal of surfaces and colloids · 2025Article
- Manipulating anthracyclines for deeper tissue penetration and implications for glycolytic tissues.Proceedings of the National Academy of Sciences of the United States of America · 2025Article
- Insights into Transfer of Supramolecular Doxorubicin/Congo Red Aggregates through Phospholipid Membranes.Molecules (Basel, Switzerland) · 2024Article
- Molecular assessment of drug-phospholipid interactions consequent to cancer treatment: a study of anthracycline-induced cardiotoxicity.Scientific reports · 2023Article
- How Does the Study MD of pH-Dependent Exposure of Nanoparticles Affect Cellular Uptake of Anticancer Drugs?International journal of molecular sciences · 2023Article
- The Use of the QbD Approach to Optimize the Co-Loading of Simvastatin and Doxorubicin in Liposomes for a Synergistic Anticancer Effect.Pharmaceuticals (Basel, Switzerland) · 2022Article
- Development of Lipidic Nanoplatform for Intra-Oral Delivery of Chlorhexidine: Characterization, Biocompatibility, and Assessment of Depth of Penetration in Extracted Human Teeth.Nanomaterials (Basel, Switzerland) · 2022Article
- The Influence of Lipid Matrix Composition on the Microenvironment of Levofloxacin in Liposomal Forms.Russian journal of bioorganic chemistry · 2022Article
- Automated Coarse-Grained Mapping Algorithm for the Martini Force Field and Benchmarks for Membrane-Water Partitioning.Journal of chemical theory and computation · 2021Article
- Delivery of Alpha-Mangostin Using Cyclodextrins through a Biological Membrane: Molecular Dynamics Simulation.Molecules (Basel, Switzerland) · 2020Article
- Poly (I:C)- and doxorubicin-loaded magnetic dendrimeric nanoparticles affect the apoptosis-related gene expressions in MCF-7 cells.Turkish journal of biology = Turk biyoloji dergisi · 2020Article
- Multiscale Simulations of Biological Membranes: The Challenge To Understand Biological Phenomena in a Living Substance.Chemical reviews · 2019Article
- A computational study of Anthracyclines interacting with lipid bilayers: Correlation of membrane insertion rates, orientation effects and localisation with cytotoxicity.Scientific reports · 2019Article
- Study of the properties of doxorubicin-resistant cells affected by acute leucosis.Journal of bioenergetics and biomembranes · 2018Article
- Influence of doxorubicin on model cell membrane properties: insights from in vitro and in silico studies.Scientific reports · 2017Article
- Liposomal Co-Encapsulation of Two Novel Europium Complexes and Doxorubicin: Fluorescence Study.Journal of fluorescence · 2017Article
- Combination of anti-hypertensive drugs: a molecular dynamics simulation study.Journal of molecular modeling · 2017Article
- The cellular membrane as a mediator for small molecule interaction with membrane proteins.Biochimica et biophysica acta · 2016Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 1 country.
Funding
Abstract
We use molecular dynamics simulations to characterize the influence of cholesterol (Chol) on the interaction between the anticancer drug doxorubicin (DOX) and a dipalmitoyl phosphatidylcholine/Chol lipid bilayer. We calculate the potential of mean force, which gives us an estimate of the free energy barrier for DOX translocation across the membrane. We find free energy barriers of 23.1 ± 3.1 k(B)T, 36.8 ± 5.1 k(B)T, and 54.5 ± 4.7 k(B)T for systems composed of 0%, 15%, and 30% Chol, respectively. Our predictions agree with Arrhenius activation energies from experiments using phospholipid membranes, including 20 k(B)T for 0% Chol and 37.2 k(B)T for 20% Chol. The location of the free energy barrier for translocation across the bilayer is dependent on composition. As Chol concentration increases, this barrier changes from the release of DOX into the water to flip-flop over the membrane center. The drug greatly affects local membrane structure by attracting dipalmitoyl phosphatidylcholine headgroups, curving the membrane, and allowing water penetration. Despite its hydrophobicity, DOX facilitates water transport via its polar groups.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.