ArticleBiophysical journal2013
The effect of sterols on amphotericin B self-aggregation in a lipid bilayer as revealed by free energy simulations.
Article in Biophysical journal, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed, 37 citations in OpenAlex.
- Copolymeric Micelles Overcome the Oral Delivery Challenges of Amphotericin B.Pharmaceuticals (Basel, Switzerland) · 2020Article
- Development of Amphotericin B Micellar Formulations Based on Copolymers of Poly(ethylene glycol) and Poly(ε-caprolactone) Conjugated with Retinol.Pharmaceutics · 2020Article
- ABCA1 transporter reduces amphotericin B cytotoxicity in mammalian cells.Cellular and molecular life sciences : CMLS · 2019Article
- Deletion ofBiotechnology for biofuels · 2019Article
- Amphotericin B potentiates the anticancer activity of doxorubicin on the MCF-7 breast cancer cells.Journal of chemical biology · 2017Article
- Towards New Insights in the Sterol/Amphotericin Nanochannels Formation: A Molecular Dynamic Simulation Study.The Journal of membrane biology · 2016Article
- Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail.Scientific reports · 2016Article
- Pharmacokinetics and Renal Toxicity of Monomeric Amphotericin B in Rats after a Multiple Dose Regimen.Pharmaceutical nanotechnology · 2016Article
- Solubilization Behavior of Polyene Antibiotics in Nanomicellar System: Insights from Molecular Dynamics Simulation of the Amphotericin B and Nystatin Interactions with Polysorbate 80.Molecules (Basel, Switzerland) · 2015Article
- Recent progress in the study of the interactions of amphotericin B with cholesterol and ergosterol in lipid environments.European biophysics journal : EBJ · 2014Review
- The interaction of dipole modifiers with amphotericin-ergosterol complexes. Effects of phospholipid and sphingolipid membrane composition.European biophysics journal : EBJ · 2014Article
- Invasive fungal infections in the ICU: how to approach, how to treat.Molecules (Basel, Switzerland) · 2014Review
- Article
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Amphotericin B (AmB) is an effective but toxic antifungal drug, known to increase the permeability of the cell membrane, presumably by assembling into transmembrane pores in a sterol-dependent manner. The aggregation of AmB molecules in a phospholipid bilayer is, thus, crucial for the drug's activity. To provide an insight into the molecular nature of this process, here, we report an atomistic molecular dynamics simulation study of AmB head-to-head dimerization in a phospholipid bilayer, a possible early stage of aggregation. To compare the effect of sterols on the thermodynamics of aggregation and the architecture of the resulting AmB-AmB complexes, free energy profiles for the dimerization in ergosterol- or cholesterol-containing and sterol-free membranes are derived from the simulations. These profiles demonstrate that although AmB dimers are formed in all the systems studied, they are significantly less favorable in the bilayer with ergosterol than in the cholesterol-containing or sterol-free ones. We investigate the structural and energetic determinants of this difference and discuss its consequences for the AmB mechanism of action.
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