Molecular dynamics studies for enhancing the anticancer drug efficacy: Toward designing a new carbon nanotube-based paclitaxel delivery system

Tohidifar, Leila; Strodel, Birgit

doi:10.1016/j.molliq.2020.114638

Cited by 14 publications

(3 citation statements)

References 39 publications

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“…Indeed, the estimation of the slip length of liquidmetal systems has great importance. Liquid behavior study in the vicinity of the surfaces can have many potential implications for microfluidic devices [29][30][31].…”

Section: Liquidmentioning

confidence: 99%

Slip length of branched hydrocarbon oils confined between iron surfaces

Mehrnia

Pelz

2021

Journal of Molecular Liquids

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In this paper, the slip length of branched hydrocarbon molecules, i.e., polyalphaolefin oils, under shear in a gap between iron surfaces were investigated utilizing large-scale Molecular Dynamics (MD) simulation. The results showed the expected singularity for the slip length with variation gap height. For large gap height, h ! 1, the slip length approaches a constant asymptote k ! k 1 : This study indicated that as the number of branches of the liquid molecule raise, the slip length k ! k 1 as well as viscosity increases. For given apparent shear rate, the friction force increased with increasing temperature due to the reduction of wall slip. MD Simulations demonstrate that the slip length of the polyalphaolefin-iron system increase by decreasing the liquid temperature, indicating an Arrhenius process.

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Section: Liquidmentioning

confidence: 99%

Slip length of branched hydrocarbon oils confined between iron surfaces

Mehrnia

Pelz

2021

Journal of Molecular Liquids

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“…108 Single-walled carbon nanotubes encapsulated with the anticancer drug Paclitaxel and functionalized with PW3 peptide along with (−OH) and (−COOH) were studied for the drug binding on the carbon nanotubes using molecular dynamics (MD) simulations. 109 Nef-M1 peptide is cytotoxic to human cancer cells by acting as an inducer of apoptosis and inhibitor of metastasis. Nanostructures made of the peptide would be an efficient strategy to enhance the functional properties of the peptide.…”

Section: Nanoparticles As Peptide Drug Carriersmentioning

confidence: 99%

“…These can be transformed into intelligent nanoscale delivery systems for drugs with or without a diagnostic agent that are biocompatible, nonimmunogenic, and photoluminescent . Single-walled carbon nanotubes encapsulated with the anticancer drug Paclitaxel and functionalized with PW3 peptide along with (−OH) and (−COOH) were studied for the drug binding on the carbon nanotubes using molecular dynamics (MD) simulations . Nef-M1 peptide is cytotoxic to human cancer cells by acting as an inducer of apoptosis and inhibitor of metastasis.…”

Section: Nanoparticles As Peptide Drug Carriersmentioning

confidence: 99%

Advances in Peptide-Decorated Targeted Drug Delivery: Exploring Therapeutic Potential and Nanocarrier Strategies

Buddhiraju,

Yadav,

Dey

et al. 2023

ACS Appl. Bio Mater.

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Peptides are ideal biologicals for targeted drug delivery and have also been increasingly employed as theranostic tools in treating various diseases, including cancer, with minimal or no side effects. Owing to their receptor-specificity, peptidemediated drug delivery aids in targeted drug delivery with better pharmacological biodistribution. Nanostructured self-assembled peptides and peptide−drug conjugates demonstrate enhanced stability and performance and captivating biological effects in comparison with conventional peptides. Moreover, they serve as valuable tools for establishing interfaces between drug carriers and biological systems, enabling the traversal of multiple biological barriers encountered by peptide−drug conjugates on their journeys to their intended targets. Peptide-based drugs play a pivotal role in the field of medicine and hold great promise for addressing a wide range of complex diseases such as cancer and autoimmune disorders. Nanotechnology has revolutionized the fields of medicine, biomedical engineering, biotechnology, and engineering sciences over the past two decades. With the help of nanotechnology, better delivery of peptides to the target site could be achieved by exploiting the small size, increased surface area, and passive targeting ability of the nanocarrier. Furthermore, nanocarriers also ensure safe delivery of the peptide moieties to the target site, protecting them from degradation. Nanobased peptide delivery systems would be of significant importance in the near future for the successful targeted and efficient delivery of peptides. This review focuses on peptide−drug conjugates and nanoparticle-mediated self-assembled peptide delivery systems in cancer therapeutics.

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