Heat-Driven Release of a Drug Molecule from Carbon Nanotubes: A Molecular Dynamics Study

Chaban, Vitaly V.; Савченко, Т. И.; Kovalenko, Sergiy M.; Prezhdo, Oleg V.

doi:10.1021/jp104507g

Cited by 71 publications

(74 citation statements)

References 45 publications

(84 reference statements)

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“…Evidence of the controlled release is confirmed by both experimental and theoretical studies (Chaban, Savchenko, Kovalenko, & Prezhdo, 2010;Chen et al, 2011;Saikia, Jha, & Deka, 2013).…”

Section: Predicted Binding Efficiencymentioning

confidence: 60%

Protein–protein interactions between SWCNT/chitosan/EGF and EGF receptor: a model of drug delivery system

Rungnim

Rungrotmongkol

Kungwan

et al. 2016

Journal of Biomolecular Structure and Dynamics

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Epidermal growth factor (EGF) was used as the targeting ligand to enhance the specificity of a cancer drug delivery system (DDS) via its specific interaction with the EGF receptor (EGFR) that is overexpressed on the surface of some cancer cells. To investigate the intermolecular interaction and binding affinity between the EGF-conjugated DDS and the EGFR, 50 ns molecular dynamics simulations were performed on the complex of tethered EGFR and EGF linked to single-wall carbon nanotube (SWCNT) through a biopolymer chitosan wrapping the tube outer surface (EGFR·EGF-CS-SWCNT-Drug complex), and compared to the EGFR·EGF complex and free EGFR. The binding pattern of the EGF-CS-SWCNT-Drug complex to the EGFR was broadly comparable to that for EGF, but the binding affinity of the EGF-CS-SWCNT-Drug complex was predicted to be somewhat better than that for EGF alone. Additionally, the chitosan chain could prevent undesired interactions of SWCNT at the binding pocket region. Therefore, EGF connected to SWCNT via a chitosan linker is a seemingly good formulation for developing a smart DDS served as part of an alternative cancer therapy.

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“…Evidence of the controlled release is confirmed by both experimental and theoretical studies (Chaban, Savchenko, Kovalenko, & Prezhdo, 2010;Chen et al, 2011;Saikia, Jha, & Deka, 2013).…”

Section: Predicted Binding Efficiencymentioning

confidence: 60%

Protein–protein interactions between SWCNT/chitosan/EGF and EGF receptor: a model of drug delivery system

Rungnim

Rungrotmongkol

Kungwan

et al. 2016

Journal of Biomolecular Structure and Dynamics

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“…Extremely low diffusion coefficients trap molecules of high polarity. When heated, the diffusion coefficient increases up to 7-fold, facilitating the release of polar drugs (Chaban et al, 2010).…”

Section: Attachment Of Drug To Cnt and Its Releasementioning

confidence: 99%

Carbon nanotubes as a novel drug delivery system for anticancer therapy: a review

Kushwaha¹,

Ghoshal²,

Kumar³

et al. 2013

Braz. J. Pharm. Sci.

113

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Carbon nanotubes (CNTs) were discovered in 1991 and shown to have certain unique physicochemical properties, attracting considerable interest in their application in various fields including drug delivery. The unique properties of CNTs such as ease of cellular uptake, high drug loading, thermal ablation, among others, render them useful for cancer therapy. Cancer is one of the most challenging diseases of modern times because its therapy involves distinguishing normal healthy cells from affected cells. Here, CNTs play a major role because phenomena such as EPR, allow CNTs to distinguish normal cells from affected ones, the Holy Grail in cancer therapy. Considerable work has been done on CNTs as drug delivery systems over the last two decades. However, concerns over certain issues such as biocompatibility and toxicity have been raised and warrant extensive research in this field.Uniterms: Carbon nanotubes/properties. Carbon nanotubes/use/drugs delivery. Single-Walled Carbon Nanotube. Multiwalled Carbon Nanotube. Anticancer drugs/delivery. Cancer/therapy. Drugs/delivery.Os nanotubos de carbono foram descobertos em 1991 e suas propriedades físico-químicas únicas demonstradas, despertando interesse em sua aplicação em vários campos, incluindo a entrega liberação de fármacos. As propriedades únicas dos nanotubos de carbono, tais como a facilidade de captação pela célula, carga alta de fármaco, ablação térmica, entre outras, tornaram-nos úteis para terapia de câncer, uma das doenças mais difíceis dos tempos modernos, pois sua terapia envolve a distinção entre as células normais saudáveis e as afetadas pela doença. Os nanotubos de carbono têm um papel importante nessa área porque fenômenos como EPR permitem que estes possam distinguir as células normais das afetadas, que é o Santo Graal na terapia do câncer. Trabalho considerável tem sido feito ao longo das duas últimas década com nanotubos de carbono, como sistemas de liberação de fármacos. No entanto, preocupações sobre algumas questões, como biocompatibilidade e toxicidade, surgiram ao longo do tempo, demandando extensas pesquisa nesse campo. Unitermos: Nanotubos de carbono/propriedades. Nanotubos de carbono/uso/liberação de fármacos. Nanotubo de carbono de parede única. Nanotubo de parede múltipla. Fármacos anticancer/liberação. Cancer/tratamento. Fármacos/liberação.

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“…Furthermore, because of the EPR effect, these nanoparticles can serve as drug carriers for targeting drug delivery to the tumor site, thus improving cancer therapeutic effects and reducing the nonspecific side effects of chemotherapeutics. 52 On the other hand, one report 11 stated that drug loaded onto CNTs could accelerate the release when the CNTs were under NIR irradiation, and in another report, 53 Chaban et al used ciprofloxacin (CIP) as a model drug loaded onto CNTs. When the CIP-CNTs were heated by NIR irradiation, the heated CNTs rapidly deposited their energy to CIP and water, increasing the diffusion coefficient of the confined CIP, and assisted the release CIP.…”

Section: Inhibition Of Tumor Growth In Vivomentioning

confidence: 99%

The application of hyaluronic acid-derivatized carbon nanotubes in hematoporphyrin monomethyl ether-based photodynamic therapy for in vivo and in vitro cancer treatment

Shi¹,

Ma²,

Wang³

et al. 2013

IJN

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Carbon nanotubes (CNTs) have shown great potential in both photothermal therapy and drug delivery. In this study, a CNT derivative, hyaluronic acid-derivatized CNTs (HA-CNTs) with high aqueous solubility, neutral pH, and tumor-targeting activity, were synthesized and characterized, and then a new photodynamic therapy agent, hematoporphyrin monomethyl ether (HMME), was adsorbed onto the functionalized CNTs to develop HMME-HA-CNTs. Tumor growth inhibition was investigated both in vivo and in vitro by a combination of photothermal therapy and photodynamic therapy using HMME-HA-CNTs. The ability of HMME-HA-CNT nanoparticles to combine local specific photodynamic therapy with external near-infrared photothermal therapy significantly improved the therapeutic efficacy of cancer treatment. Compared with photodynamic therapy or photothermal therapy alone, the combined treatment demonstrated a synergistic effect, resulting in higher therapeutic efficacy without obvious toxic effects to normal organs. Overall, it was demonstrated that HMME-HA-CNTs could be successfully applied to photodynamic therapy and photothermal therapy simultaneously in future tumor therapy.

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Heat-Driven Release of a Drug Molecule from Carbon Nanotubes: A Molecular Dynamics Study

Cited by 71 publications

References 45 publications

Protein–protein interactions between SWCNT/chitosan/EGF and EGF receptor: a model of drug delivery system

Protein–protein interactions between SWCNT/chitosan/EGF and EGF receptor: a model of drug delivery system

Carbon nanotubes as a novel drug delivery system for anticancer therapy: a review

The application of hyaluronic acid-derivatized carbon nanotubes in hematoporphyrin monomethyl ether-based photodynamic therapy for in vivo and in vitro cancer treatment

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