Abstract
Graphene derivatives have occurred as central materials in the development of anticancer drug delivery systems. Graphene, graphene oxide and graphene quantum dots have been used for the effective delivery of different anticancer drugs. Graphene oxide (GO) nanomaterials have drew wide attention due to their surface properties. The oxygen-containing functional groups on the surface provide it modification by functionalization with molecules with focus to enlarge the range of biological applications with the impact on reduce toxicity effect. In this chapter, the properties of GO as a nanocarrier to load drug molecules and improve the solubility of carrier-drug systems effectively when functionalized with various hydrophilic molecules or polymers, implying potential applications in clinical treatments is performed in the frame of density functional theory (DFT) and molecular dynamics (MD) calculations.
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Acknowledgements
The authors Miroslava Nedyalkova and Sergio Madurga are gratefully acknowledged financial support from the “Materials Networking” project, Horizon 2020 research and innovation programme under grant agreement No. 692146. Author M. Nedyalkova is grateful to the National Scientific Program ICT in SES, financed by the Ministry of Education and Science. The author M. Nedyalkova is gratefully acknowledged to the L’Oréal Program for Woman in Science. Financial support from Generalitat de Catalunya (Grant 2017SGR1033) and Spanish Structures of Excellence María de Maeztu program through grant MDM- 2017–0767 is fully acknowledged.
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Nedyalkova, M., Romanova, J., Stoycheva, J., Madurga, S. (2019). Simulation Paths of Anticancer Drugs on a Graphene Oxide Surface. In: Khan, A., Jawaid, M., Neppolian, B., Asiri, A. (eds) Graphene Functionalization Strategies. Carbon Nanostructures. Springer, Singapore. https://doi.org/10.1007/978-981-32-9057-0_9
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