ArticleMolecular pharmaceutics2021
Mechanistic Insight into How PEGylation Reduces the Efficacy of pH-Sensitive Liposomes from Molecular Dynamics Simulations.
Article in Molecular pharmaceutics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 10 papers.
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Who cites it
10 citing papers in PubMed.
- Recent Advances in Stimuli-Responsive Membranes: From Supramolecular Design to Controlled Permeability.Membranes · 2026Review
- Comparative study on two kinds of brain-targeted liposomes co-modified by RVGP and R9 in different ways.International journal of pharmaceutics: X · 2025Article
- Recent Advances in pH-Responsive Liposomes: Lessons Learnt and New Directions in Nanomedicine Development.Materials (Basel, Switzerland) · 2025Review
- When conventional approach in toxicity assays falls short for nanomedicines: a case study with nanoemulsions.Drug delivery and translational research · 2025Article
- Nanotechnology-Driven Drug Delivery Systems for Lung Cancer: Computational Advances and Clinical Perspectives.Thoracic cancer · 2025Review
- Computational Methods for Modeling Lipid-Mediated Active Pharmaceutical Ingredient Delivery.Molecular pharmaceutics · 2025Review
- αvβ3 Integrin and Folate-Targeted pH-Sensitive Liposomes with Dual Ligand Modification for Metastatic Breast Cancer Treatment.Bioengineering (Basel, Switzerland) · 2024Article
- Lipid-Coated Polymeric Nanoparticles for the Photodynamic Therapy of Head and Neck Squamous Cell Carcinomas.Pharmaceutics · 2023Article
- Establishment and evaluation of glucose-modified nanocomposite liposomes for the treatment of cerebral malaria.Journal of nanobiotechnology · 2022Article
- Design and simulation of the liposomal model by using a coarse-grained molecular dynamics approach towards drug delivery goals.Scientific reports · 2022Article
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Authors and funding
5 authors.
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Abstract
Liposome-based drug delivery systems composed of DOPE stabilized with cholesteryl hemisuccinate (CHMS) have been proposed as a drug delivery mechanism with pH-triggered release as the anionic form (CHSa) is protonated (CHS) at reduced pH; PEGylation is known to decrease this pH sensitivity. In this manuscript, we set out to use molecular dynamics (MD) simulations with a model with all-atom resolution to provide insight into why incorporation of poly(ethyleneglycol) (PEG) into DOPE-CHMS liposomes reduces their pH sensitivity; we also address two additional questions: (1) How CHSa stabilizes DOPE bilayers into a lamellar conformation at a physiological pH of 7.4? and (2) how the change from CHSa to CHS at acidic pH triggers the destabilization of DOPE bilayers? We found that (A) CHSa stabilizes the DOPE lipid membrane by increasing the hydrophilicity of the bilayer surface, (B) when CHSa changes to CHS by pH reduction, DOPE bilayers are destabilized due to a reduction in bilayer hydrophilicity and a reduction in the area per lipid, and (C) PEG stabilizes DOPE bilayers into the lamellar phase, thus reducing the pH sensitivity of the liposomes by increasing the area per lipid through penetration into the bilayer, which is our main focus.
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