ArticleMolecules (Basel, Switzerland)2022
Interactions between Rhodamine Dyes and Model Membrane Systems-Insights from Molecular Dynamics Simulations.
Article in Molecules (Basel, Switzerland), 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed, 35 citations in OpenAlex.
- Quantifying Small-Molecule Association with Lipid Membranes: Methods, Models, and Limitations.Membranes · 2026Review
- The Effects of Salicyluric Acid, the Main Metabolite of Aspirin, on Lipid Peroxidation Induced by Iron and Copper Ions in a Lipid Membrane Model.International journal of molecular sciences · 2026Article
- Charge Transfer Reactions (PDT Reaction I) Induced at 1064 nm (NIR-II) between Rhodamines and Folic Acid as the Basis for Biphotonic Photodynamic Therapy.Journal of fluorescence · 2025Article
- First Design of a Contact Lens for Diagnosis of Dehydration.Biosensors · 2025Article
- Protecting bacteriophages under UV irradiation with brilliant blue FCF for targeted bacterial control.Biofilm · 2025Article
- Interaction of the Antibiotic Rifampicin with Lipid Membranes.Biomolecules · 2025Article
- Dipole Potential of Monolayers with Biologically Relevant Lipid Compositions.Molecules (Basel, Switzerland) · 2024Article
- Interaction of MRI Contrast Agent [Gd(DOTA)]Inorganic chemistry · 2024Article
- Detecting PTP Protein-Protein Interactions by Fluorescent Immunoprecipitation Analysis (FIPA).Methods in molecular biology (Clifton, N.J.) · 2024Article
- Restoring cellular copper homeostasis in Alzheimer disease: a novel peptide shuttle is internalized by an ATP-dependent endocytosis pathway involving Rab5- and Rab14-endosomes.Frontiers in molecular biosciences · 2024Article
- Interaction of Hoechst 33342 with POPC Membranes at Different pH Values.Molecules (Basel, Switzerland) · 2023Article
- Interaction of Near-Infrared (NIR)-Light Responsive Probes with Lipid Membranes: A Combined Simulation and Experimental Study.Pharmaceutics · 2023Article
- Characterizing Counterion-Dependent Aggregation of Rhodamine B by Classical Molecular Dynamics Simulations.Molecules (Basel, Switzerland) · 2023Article
- Molecular Dynamics Simulations: Advances and Applications.Molecules (Basel, Switzerland) · 2022Article
Corrections and comments
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Authors and funding
9 authors at 4 institutions in 1 country.
Funding
Abstract
backgroundrhodamines are dyes widely used as fluorescent tags in cell imaging, probing of mitochondrial membrane potential, and as P-glycoprotein model substrates. In all these applications, detailed understanding of the interaction between rhodamines and biomembranes is fundamental.
methodswe combined atomistic molecular dynamics (MD) simulations and fluorescence spectroscopy to characterize the interaction between rhodamines 123 and B (Rh123 and RhB, respectively) and POPC bilayers.
resultswhile the xanthene moiety orients roughly parallel to the membrane plane in unrestrained MD simulations, variations on the relative position of the benzoic ring (below the xanthene for Rh123, above it for RhB) were observed, and related to the structure of the two dyes and their interactions with water and lipids. Subtle distinctions were found among different ionization forms of the probes. Experimentally, RhB displayed a lipid/water partition coefficient more than two orders of magnitude higher than Rh123, in agreement with free energy profiles obtained from umbrella sampling MD.
conclusionsthis work provided detailed insights on the similarities and differences in the behavior of bilayer-inserted Rh123 and RhB, related to the structure of the probes. The much higher affinity of RhB for the membranes increases the local concentration and explains its higher apparent affinity for P-glycoprotein reconstituted in model membranes.
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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.