Molecular dynamics study on DNA nanotubes as drug delivery vehicle for anticancer drugs

Liang, Lijun; Shen, Jia-Wei; Wang, Qi

doi:10.1016/j.colsurfb.2017.02.021

Cited by 45 publications

(17 citation statements)

References 42 publications

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“…A cylindrical carbon allotrope, carbon nanotube (CNT) has recently drawn the attention of drug delivery researchers [37]. Its surface area and charge, chemical properties, and capability of passing through biological membranes have made CNT a promising candidate for cancer therapy and diagnosis [38,39]. Depending on its diameter and chirality, CNTs exhibit different physical and chemical properties.…”

Section: Introductionmentioning

confidence: 99%

pH-Sensitive Co-Adsorption/Release of Doxorubicin and Paclitaxel by Carbon Nanotube, Fullerene, and Graphene Oxide in Combination with N-isopropylacrylamide: A Molecular Dynamics Study

et al. 2018

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Nanotechnology based drug delivery systems for cancer therapy have been the topic of interest for many researchers and scientists. In this research, we have studied the pH sensitive co-adsorption and release of doxorubicin (DOX) and paclitaxel (PAX) by carbon nanotube (CNT), fullerene, and graphene oxide (GO) in combination with N-isopropylacrylamide (PIN). This simulation study has been performed by use of molecular dynamics. Interaction energies, hydrogen bond, and gyration radius were investigated. Results reveal that, compared with fullerene and GO, CNT is a better carrier for the co-adsorption and co-release of DOX and PAX. It can adsorb the drugs in plasma pH and release it in vicinity of cancerous tissues which have acidic pH. Investigating the number of hydrogen bonds revealed that PIN created many hydrogen bonds with water resulting in high hydrophilicity of PIN, hence making it more stable in the bloodstream while preventing from its accumulation. It is also concluded from this study that CNT and PIN would make a suitable combination for the delivery of DOX and PAX, because PIN makes abundant hydrogen bonds and CNT makes stable interactions with these drugs.

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Section: Introductionmentioning

confidence: 99%

pH-Sensitive Co-Adsorption/Release of Doxorubicin and Paclitaxel by Carbon Nanotube, Fullerene, and Graphene Oxide in Combination with N-isopropylacrylamide: A Molecular Dynamics Study

et al. 2018

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“…This approach could lead to the applications of precise organization of 1D nanomaterials, such as gene‐triggered selective delivery of drugs and biological sensing. Molecular dynamics simulation uncovers that π–π interactions are the driving force of absorption of anticancer drugs, including DOX, daunorubicin, PTX, and vinblastine by the DNA NTs and the stability of DNA NTs was improved with the absorption of anticancer drugs (Figure c) . DNA‐NTs as combinatorial vehicles dual‐functionalized by folate and Cy3 specifically bind to cancer cells through folate–FR interaction and be further taken into the cancer cells for fluorescence imaging (Figure d) …”

Section: Biomedical Applicationsmentioning

confidence: 99%

Programmable and Multifunctional DNA‐Based Materials for Biomedical Applications

et al. 2018

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DNA encodes the genetic information; recently, it has also become a key player in material science. Given the specific Watson-Crick base-pairing interactions between only four types of nucleotides, well-designed DNA self-assembly can be programmable and predictable. Stem-loops, sticky ends, Holliday junctions, DNA tiles, and lattices are typical motifs for forming DNA-based structures. The oligonucleotides experience thermal annealing in a near-neutral buffer containing a divalent cation (usually Mg ) to produce a variety of DNA nanostructures. These structures not only show beautiful landscape, but can also be endowed with multifaceted functionalities. This Review begins with the fundamental characterization and evolutionary trajectory of DNA-based artificial structures, but concentrates on their biomedical applications. The coverage spans from controlled drug delivery to high therapeutic profile and accurate diagnosis. A variety of DNA-based materials, including aptamers, hydrogels, origamis, and tetrahedrons, are widely utilized in different biomedical fields. In addition, to achieve better performance and functionality, material hybridization is widely witnessed, and DNA nanostructure modification is also discussed. Although there are impressive advances and high expectations, the development of DNA-based structures/technologies is still hindered by several commonly recognized challenges, such as nuclease instability, lack of pharmacokinetics data, and relatively high synthesis cost.

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“…The interactions of DNA with metal ions and small molecules facilitate fundamental cellular processes [139][140][141][142] such as genomic stability [139,[143][144][145][146][147], DNA-carcinogen interactions [146][147][148][149][150][151], drug development [152][153][154][155], and DNA-based metal-biosensors [156]. As mentioned earlier, the rigidity of DNA is affected by the type and concentration of metal ions.…”

Section: Dna-bows As Metal Ion/small-molecule Sensorsmentioning

confidence: 99%

Mechanical Flexibility of DNA: A Quintessential Tool for DNA Nanotechnology

Saran

Wang

2020

Sensors

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The mechanical properties of DNA have enabled it to be a structural and sensory element in many nanotechnology applications. While specific base-pairing interactions and secondary structure formation have been the most widely utilized mechanism in designing DNA nanodevices and biosensors, the intrinsic mechanical rigidity and flexibility are often overlooked. In this article, we will discuss the biochemical and biophysical origin of double-stranded DNA rigidity and how environmental and intrinsic factors such as salt, temperature, sequence, and small molecules influence it. We will then take a critical look at three areas of applications of DNA bending rigidity. First, we will discuss how DNA’s bending rigidity has been utilized to create molecular springs that regulate the activities of biomolecules and cellular processes. Second, we will discuss how the nanomechanical response induced by DNA rigidity has been used to create conformational changes as sensors for molecular force, pH, metal ions, small molecules, and protein interactions. Lastly, we will discuss how DNA’s rigidity enabled its application in creating DNA-based nanostructures from DNA origami to nanomachines.

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Molecular dynamics study on DNA nanotubes as drug delivery vehicle for anticancer drugs

Cited by 45 publications

References 42 publications

pH-Sensitive Co-Adsorption/Release of Doxorubicin and Paclitaxel by Carbon Nanotube, Fullerene, and Graphene Oxide in Combination with N-isopropylacrylamide: A Molecular Dynamics Study

pH-Sensitive Co-Adsorption/Release of Doxorubicin and Paclitaxel by Carbon Nanotube, Fullerene, and Graphene Oxide in Combination with N-isopropylacrylamide: A Molecular Dynamics Study

Programmable and Multifunctional DNA‐Based Materials for Biomedical Applications

Mechanical Flexibility of DNA: A Quintessential Tool for DNA Nanotechnology

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