ArticleJournal of molecular modeling2015
Molecular dynamics simulation study of chitosan and gemcitabine as a drug delivery system.
Article in Journal of molecular modeling, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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
17 citing papers in PubMed, 70 citations in OpenAlex.
- Eco-Friendly Synthesis, Physicochemical Characterization, and In Vitro Biological Evaluation of Plant-Derived Bioactive-Loaded Chitosan Nanoparticles Supported by Molecular Modeling Studies.Molecules (Basel, Switzerland) · 2026Article
- Understanding Binding of Chitosan to Graphene in Li-Ion Battery Anodes from First-Principles.ACS applied energy materials · 2026Article
- Molecular Dynamics Simulations and Their Novel Applications in Drug Delivery for Cancer Treatment: A Review.Annals of biomedical engineering · 2025Review
- Recent Techniques to Improve Amorphous Dispersion Performance with Quality Design, Physicochemical Monitoring, Molecular Simulation, and Machine Learning.Pharmaceutics · 2025Review
- Harnessing the Efficiency of Twin Boron Nitride and Graphene Monolayers for Anticancer Drug Delivery: Insights from DFT.ACS applied bio materials · 2025Article
- Biomolecular engineering of drugs loading in Riboflavin-targeted polymeric devices: simulation and experimental.Scientific reports · 2022Article
- Molecular interaction mechanisms of glycol chitosan self-healing hydrogel as a drug delivery system for gemcitabine and doxorubicin.Computational and structural biotechnology journal · 2022Article
- Molecular dynamics simulation study of doxorubicin adsorption on functionalized carbon nanotubes with folic acid and tryptophan.Scientific reports · 2021Article
- Molecular Simulation and Statistical Learning Methods toward Predicting Drug-Polymer Amorphous Solid Dispersion Miscibility, Stability, and Formulation Design.Molecules (Basel, Switzerland) · 2021Review
- Mechanistic Understanding From Molecular Dynamics Simulation in Pharmaceutical Research 1: Drug Delivery.Frontiers in molecular biosciences · 2020Review
- Molecular Dynamics Simulation of the Implantation ofFrontiers in chemistry · 2019Article
- Effect of Surface Structure and Adsorption Activity on Implanting of b-Oriented ZSM-5 Zeolite Film on Modified α-Quartz Substrate.Frontiers in chemistry · 2019Article
- Poly (n-butyl cyanoacrylate) as a nanocarrier for rivastigmine transport across the blood-brain barrier in Alzheimer's disease treatment: a perspective from molecular dynamics simulations.Journal of molecular modeling · 2018Article
- Interaction of drugs amlodipine and paroxetine with the metabolizing enzyme CYP2B4: a molecular dynamics simulation study.Journal of molecular modeling · 2018Article
- Effect of Protonation State and N-Acetylation of Chitosan on Its Interaction with Xanthan Gum: A Molecular Dynamics Simulation Study.Marine drugs · 2017Article
- Practical computational toolkits for dendrimers and dendrons structure design.Journal of computer-aided molecular design · 2017Article
- Predictive analysis of chitosan-based nanocomposite biopolymers elastic properties at nano- and microscale.Journal of molecular modeling · 2016Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
By using molecular dynamics (MD) simulation, biodegradable biopolymer chitosan as a carrier for the drug gemcitabine was investigated and the effect of three initial drug concentrations (10, 40, and 80%) on its loading efficiency was studied. Then water was added to the systems of drug and biopolymer and the effects of water on the interactions of drug and chitosan and on the drug loading efficiency were examined. From the results it was found that the maximum loading of the drug occurred at 40% of the drug concentration. The radial distribution function calculations indicated that in the absence of water molecules, the drug molecules were located at shorter distance from chitosan and the loading efficiency of the drug in these systems was higher.
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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.