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.
Highlights
One of the most challenging issues in current medicine, cancer, is receiving more and more global attention in both research and medical practice
PAXare areanticancer anticancerdrugs drugswhich whichhave havebeen beenused usedboth bothindividually individuallyand andin incombination combination to treat a wide variety of malignancies
In this molecular dynamics study, the pH-sensitive coto treat a wide variety of malignancies
Summary
One of the most challenging issues in current medicine, cancer, is receiving more and more global attention in both research and medical practice. Cancer is technically defined as abnormal growth of cells resulting from vicious cell cycle. It has been evident that certain environmental and behavioral factors could predispose individuals to cancer, including radiation exposure, industrial pollutants, smoking, etc. Cancer treatment has nowadays evolved into a multidisciplinary field and Biomolecules 2018, 8, 127; doi:10.3390/biom8040127 www.mdpi.com/journal/biomolecules. Biomolecules 2018, 8, 127 various branches of science have contributed to its development, including cellular and molecular biology, genetics, biophysics, biochemistry, and surgery. Common routes of cancer therapy include immunotherapy, chemotherapy, radiotherapy, surgery, etc., and oncologists usually tend to implement combinations of these methods to treat specific malignancies [5,6,7]
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