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Biomolecules 2018, 8(4), 127; https://doi.org/10.3390/biom8040127

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

1
Department of Pharmacology, School of Medicine, Shahid Beheshti University of Medical Sciences, 19839-63113 Tehran, Iran
2
Department of Chemical Engineering, School of Chemical and Petroleum Engineering, Shiraz University, Shiraz 71345, Iran
3
Student Research Committee, School of Pharmacy, Shiraz University of Medical Sciences, Shiraz 71345, Iran
4
Department of Chemical Engineering, Azad University, Kermanshah, Iran
*
Authors to whom correspondence should be addressed.
Received: 31 August 2018 / Revised: 16 October 2018 / Accepted: 19 October 2018 / Published: 29 October 2018
(This article belongs to the Special Issue Nanoparticles for Cancer Therapy)
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Abstract

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. View Full-Text
Keywords: doxorubicin; paclitaxel; N-isopropylacrylamide; molecular dynamics; nanotube; release; loading; fullerene; graphene oxide doxorubicin; paclitaxel; N-isopropylacrylamide; molecular dynamics; nanotube; release; loading; fullerene; graphene oxide
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).
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Rezaian, M.; Maleki, R.; Dahri Dahroud, M.; Alamdari, A.; Alimohammadi, M. 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. Biomolecules 2018, 8, 127.

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