scholarly journals Molecular Dynamics Study of Stability and Diffusion of Graphene-Based Drug Delivery Systems

2015 ◽  
Vol 2015 ◽  
pp. 1-14 ◽  
Author(s):  
Xiunan Wang ◽  
Yi Liu ◽  
Jingcheng Xu ◽  
Shengjuan Li ◽  
Fada Zhang ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Drug Delivery Systems ◽  
Delivery Systems ◽  
Graphene Sheets ◽  
Pristine Graphene ◽  
Drug Molecules ◽  
Potential Applications ◽  
The Stability ◽  
And Diffusion

Graphene, a two-dimensional nanomaterial with unique biomedical properties, has attracted great attention due to its potential applications in graphene-based drug delivery systems (DDS). In this work graphene sheets with various sizes and graphene oxide functionalized with polyethylene glycol (GO-PEG) are utilized as nanocarriers to load anticancer drug molecules including CE6, DOX, MTX, and SN38. We carried out molecular dynamics calculations to explore the energetic stabilities and diffusion behaviors of the complex systems with focuses on the effects of the sizes and functionalization of graphene sheets as well as the number and types of drug molecules. Our study shows that the binding of graphene-drug complex is favorable when the drug molecules and finite graphene sheets become comparable in sizes. The boundaries of finite sized graphene sheets restrict the movement of drug molecules. The double-side loading often slows down the diffusion of drug molecules compared with the single-side loading. The drug molecules bind more strongly with GO-PEG than with pristine graphene sheets, demonstrating the advantages of functionalization in improving the stability and biocompatibility of graphene-based DDS.

scholarly journals Polymer based Drug Delivery Systems- benchtop to Bedside Transition

2021 ◽  
Vol 2 (2) ◽  
pp. 1-3
Author(s):  
Priyanka Ray ◽  
Keyword(s):  
Drug Delivery ◽  
Drug Delivery Systems ◽  
Polymeric Materials ◽  
Therapeutic Index ◽  
Drug Carriers ◽  
Delivery Systems ◽  
Drug Molecules ◽  
Drug Conjugates ◽  
Life Threatening ◽  
The Stability

Research in the field of polymers and polymeric materials has garnered immense attention in the past few decades due to the versatile functional and structural capabilities of polymers which often can be manipulated for applications in the field of therapy and diagnosis for a host of diseases and disorders. Polymer therapeutics comprises polymer-drug and polymer-protein conjugates as well as supramolecular systems used as drug delivery systems. Although the pharmacological industry invests immensely in the design and discovery of novel drug molecules, small molecular drugs are often inefficient in targeting many diseases like deep seated low vasculature tumours, metastasized cancers and various autoimmune diseases. Coupled with a rapid clearance rate, low solubility, drug resistance and high off target toxicity these small molecular drugs often present modest benefits for a host of common diseases. In order to improve the therapeutic index of pre-existing drugs and shortening the translation from preclinical validation to clinical approval, a vast area of drug delivery research focuses on the improvement of drug carriers by various alterations. The major challenges currently faced by drug delivery systems include a low payload, transition through the desmoplastic barrier for solid tumours and high hepatic and renal clearance. In order to address these issues numerous polymer–protein and polymer-drug conjugates have been engineered and have reported to enhance the stability and pharmacokinetic properties of the active drugs. Highly toxic anticancer drugs like doxorubicin, cis-platin and gemcitabine have successfully been coupled with high molecular weight polymers to formulate targeted drug delivery agents, some of which have undergone successful clinical trials. Apart from PEGylated polymers, dendritic polymers and polyplexes with DNA or RNA moieties have also been considered as candidates for improving the therapeutic index of various drugs. Ongoing efforts in the development of polymer-based therapeutics are promising and open new horizons for personalized medicine for effective cure of various life-threatening diseases.

scholarly journals Polyhydroxyalkanoate Nanoparticles for Pulmonary Drug Delivery: Interaction with Lung Surfactant

Nanomaterials ◽  
2021 ◽  
Vol 11 (6) ◽  
pp. 1482
Author(s):  
Olga Cañadas ◽  
Andrea García-García ◽  
M. Auxiliadora Prieto ◽  
Jesús Pérez-Gil
Keyword(s):  
Drug Delivery ◽  
Drug Delivery Systems ◽  
Bacterial Species ◽  
High Surface ◽  
Lung Surfactant ◽  
Delivery Systems ◽  
Pulmonary Drug Delivery ◽  
Epifluorescence Microscopy ◽  
Energy Storage Materials ◽  
The Stability

Polyhydroxyalkanoates (PHA) are polyesters produced intracellularly by many bacterial species as energy storage materials, which are used in biomedical applications, including drug delivery systems, due to their biocompatibility and biodegradability. In this study, we evaluated the potential application of this nanomaterial as a basis of inhaled drug delivery systems. To that end, we assessed the possible interaction between PHA nanoparticles (NPs) and pulmonary surfactant using dynamic light scattering, Langmuir balances, and epifluorescence microscopy. Our results demonstrate that NPs deposited onto preformed monolayers of DPPC or DPPC/POPG bind these surfactant lipids. This interaction facilitated the translocation of the nanomaterial towards the aqueous subphase, with the subsequent loss of lipid from the interface. NPs that remained at the interface associated with liquid expanded (LE)/tilted condensed (TC) phase boundaries, decreasing the size of condensed domains and promoting the intermixing of TC and LE phases at submicroscopic scale. This provided the stability necessary for attaining high surface pressures upon compression, countering the destabilization induced by lipid loss. These effects were observed only for high NP loads, suggesting a limit for the use of these NPs in pulmonary drug delivery.

Nanoparticulate Drug Delivery Systems: An update

2021 ◽  
pp. 312-316
Author(s):  
Pandey Swarnima ◽  
Sushant Kumar
Keyword(s):  
Drug Delivery ◽  
Carrying Capacity ◽  
Drug Delivery Systems ◽  
High Specificity ◽  
Delivery Systems ◽  
Classification Methods ◽  
Hydrophobic Drug ◽  
Drug Molecules ◽  
Conventional Drug ◽  
Novel Drug

The paper is aimed to provide a comprehensive review on nanoparticles, methods of preparation, applications in drug delivery. In recent years, there has been an exponential interest within the development of novel drug delivery systems using nanoparticles. Nanoparticles offers significant advantages over the conventional drug delivery in terms of high stability, high specificity, high drug carrying capacity, ability for controlled release, possibility to use in several route of administration and therefore the capability to deliver both hydrophilic and hydrophobic drug molecules. This review focuses on classification, methods of preparation, characterization, application, advantages of nanoparticles and health perspectives.

Molecular simulation of pH-dependent diffusion, loading, and release of doxorubicin in graphene and graphene oxide drug delivery systems

2016 ◽  
Vol 4 (46) ◽  
pp. 7441-7451 ◽  
Author(s):  
Mina Mahdavi ◽  
Farzin Rahmani ◽  
Sasan Nouranian
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Graphene Oxide ◽  
Molecular Dynamics Simulation ◽  
Molecular Simulation ◽  
Drug Delivery Systems ◽  
Delivery Systems ◽  
Dynamics Simulation ◽  
Drug Adsorption ◽  
Ph Dependent

We investigated the pH-dependent energetics and mechanisms of doxorubicin (DOX) drug adsorption on graphene oxide nanocarriers using molecular dynamics simulation.

Chitosan Polyelectrolyte Complexes for Use in Tissue Engineering and Drug Delivery

2007 ◽  
Vol 539-543 ◽  
pp. 577-582
Author(s):  
Silvia Bubeníková ◽  
Igor Lacík ◽  
Dušan Bakoš ◽  
Lucia Vodná
Keyword(s):  
Drug Delivery ◽  
Tissue Engineering ◽  
Reaction Time ◽  
Drug Delivery Systems ◽  
Chondroitin Sulphate ◽  
Delivery Systems ◽  
Medical Field ◽  
Polyelectrolyte Complexes ◽  
Potential Applications ◽  
Cross Linker

The paper presents the first part of the work focused on preparation of biodegradable chitosan microcapsules with tailored properties for potential applications in medical field as drug temporary carriers. In this paper, we aimed to prepare chitosan and chondroitin sulphate microcapsules using TPP as the second cross-linker and investigate the formation of the capsule membrane and its permeability in dependence on conditions of polyionic complexation. As a model, TPP was used to assess an influence of concentration and reaction time on the microcapsule formation. The method of inverse SEC was used for pores size and permeability limit of capsules assessment. For chitosan/CHS/TPP capsules, the distribution of pores size in the membrane is rather broad, which can be suitable for applications in tissue engineering and drug delivery systems.

Nanohybrid Nanoparticles Based on Chitosan/Functionalized Carbon Nanotubes as Anti-HIV Nanocarrier

NANO ◽  
2015 ◽  
Vol 10 (01) ◽  
pp. 1550010 ◽  
Author(s):  
R. Afshari ◽  
S. Mazinani ◽  
M. Abdouss
Keyword(s):  
Carbon Nanotubes ◽  
Drug Delivery ◽  
Carbon Nanotube ◽  
Drug Delivery Systems ◽  
Drug Loading ◽  
Delivery Systems ◽  
Potential Applications ◽  
Multi Walled Carbon Nanotubes ◽  
Walled Carbon Nanotubes

Carbon nanotube-natural biopolymer nanovectors have important potential applications in delivery system for drugs and biomolecules. In this work, the use of multi-walled carbon nanotubes (MWCNT) as nanoreservoirs for drug loading and controlled release is demonstrated. We synthesized different carbon nanotube-based drug delivery systems including acid and amide-functionalized MWCNT; chitosan (CS) covalently grafted to functionalized MWCNT and MWCNT-CS nanoparticles (NPs) using an ionotropic gelation method as a sustained-release systems for delivery of Tenofovir (hydrophilic anti-retroviral drug). The prepared NPs as different drug delivery systems were characterized by Fourier transform infrared (FTIR) spectroscopy, thermogravimetric analysis (TGA) and scanning electron microscopy (SEM). As it is shown, in vitro drug release studies indicated that the cumulative release rate of Tenofovir from MWCNT–CS NPs shows the best result and it reaches the maximum value (90%) after about 120 h. Moreover, comparing to ungrafted CNTs, MWCNT–CS shows high dispersability and long-term stability in aqueous medium which approves the effective solubilization of MWCNT followed by grafting with CS.

Design and Synthesis of Novel Polyglycerol Hybrid Nanomaterials for Potential Applications in Drug Delivery Systems

2010 ◽  
Vol 11 (3) ◽  
pp. 383-390 ◽  
Author(s):  
Ali Zarrabi ◽  
Mohsen Adeli ◽  
Manouchehr Vossoughi ◽  
Mohammad Ali Shokrgozar
Keyword(s):  
Drug Delivery ◽  
Drug Delivery Systems ◽  
Delivery Systems ◽  
Hybrid Nanomaterials ◽  
Design And Synthesis ◽  
Potential Applications

scholarly journals Fmoc-PEG Coated Single-Wall Carbon Nanotube Carriers by Non-covalent Functionalization: An Experimental and Molecular Dynamics Study

2021 ◽  
Vol 9 ◽  
Author(s):  
Yesim Yeniyurt ◽  
Sila Kilic ◽  
Ö. Zeynep Güner-Yılmaz ◽  
Serdar Bozoglu ◽  
Mehdi Meran ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Amino Acid ◽  
Drug Delivery Systems ◽  
Delivery Systems ◽  
Great Promise ◽  
Single Walled Carbon ◽  
Vis Spectroscopy ◽  
Two Samples

Due to their structural characteristics at the nanoscale level, single-walled carbon nanotubes (SWNTs), hold great promise for applications in biomedicine such as drug delivery systems. Herein, a novel single-walled carbon nanotube (SWNT)-based drug delivery system was developed by conjugation of various Fmoc-amino acid bearing polyethylene glycol (PEG) chains (Mw = 2,000, 5,000, and 12,000). In the first step, full-atom molecular dynamics simulations (MD) were performed to identify the most suitable Fmoc-amino acid for an effective surface coating of SWNT. Fmoc-glycine, Fmoc-tryptophan, and Fmoc-cysteine were selected to attach to the PEG polymer. Here, Fmoc-cysteine and -tryptophan had better average interaction energies with SWNT with a high number of aromatic groups, while Fmoc-glycine provided a non-aromatic control. In the experimental studies, non-covalent modification of SWNTs was achieved by Fmoc-amino acid-bearing PEG chains. The remarkably high amount of Fmoc-glycine-PEG, Fmoc-tryptophan-PEG, and Fmoc-cysteine-PEG complexes adsorbed onto the SWNT surface, as was assessed via thermogravimetric and UV-vis spectroscopy analyses. Furthermore, Fmoc-cysteine-PEG5000 and Fmoc-cysteine-PEG12000 complexes displayed longer suspension time in deionized water, up to 1 and 5 week, respectively, underlying the ability of these surfactants to effectively disperse SWNTs in an aqueous environment. In vitro cell viability assays on human dermal fibroblast cells also showed the low cytotoxicity of these two samples, even at high concentrations. In conclusion, synthesized nanocarriers have a great potential for drug delivery systems, with high loading capacity, and excellent complex stability in water critical for biocompatibility.

Understanding the Pharmaceutical Aspects of Dendrimers for the Delivery of Anticancer Drugs

2020 ◽  
Vol 21 (6) ◽  
pp. 528-540 ◽  
Author(s):  
Sunil Kumar Dubey ◽  
Shubham Salunkhe ◽  
Mukta Agrawal ◽  
Maithili Kali ◽  
Gautam Singhvi ◽  
...  
Keyword(s):  
Drug Delivery ◽  
Drug Delivery Systems ◽  
Biological Membrane ◽  
Drug Loading ◽  
Covalent Bond ◽  
Delivery Systems ◽  
Passive Targeting ◽  
Drug Molecules ◽  
Growth Method

Dendrimers are emerging class of nanoparticles used in targeted drug delivery systems. These are radially symmetric molecules with well-defined, homogeneous, and monodisperse structures. Due to the nano size, they can easily cross the biological membrane and increase bioavailability. The surface functionalization facilitates targeting of the particular site of action, assists the high drug loading and improves the therapeutic efficiency of the drug. These properties make dendrimers advantageous over conventional drug delivery systems. This article explains the features of dendrimers along with their method of synthesis, such as divergent growth method, convergent growth method, double exponential and mixed method, hyper-core and branched method. Dendrimers are effectively used in anticancer delivery and can be targeted at the site of tumor either by active or passive targeting. There are three mechanisms by which drugs interact with dendrimers, and they are physical encapsulation, electrostatic interaction, chemical conjugation of drug molecules. Drug releases from dendrimer either by in vivo cleavage of the covalent bond between drugdendrimer complexes or by physical changes or stimulus like pH, temperature, etc.

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