Host-guest interaction of ZnBDC-MOF + doxorubicin: A theoretical and experimental study

Vasconcelos, Iane B.; Wanderley, Kaline A.; Rodrigues, Nailton M.; Costa, Nivan B. da; Freire, Ricardo O.; Severino, Andrea

doi:10.1016/j.molstruc.2016.11.034

Cited by 15 publications

(6 citation statements)

References 40 publications

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“…The cytotoxic effect, an intensity scale for the cytotoxic potential of the system under study, was as stated in the following tendency related to cell growth inhibition [CGI], zero activity, ranging from 1 to 20%; little activity, 20-50%; moderate activity, 50-70%; and significant activity, 70-100%. In vitro cytotoxicity of unloaded MOF-5 was HT29 CGI = 72.6%, MCF-7 CGI = 47.4%, NCI-H-292 CGI = 77.0%; for free DOXO, HT29 CGI = 57.0%, MCF-7 CGI = 55.2%, NCI-H-292 CGI = 76.3%; and for DOXO@ZnBDC was HT29 CGI = 70.7%; MCF-7 CGI = 20.1%; NCI-H-292 CGI = 26.4% at different concentrations after 72 h. As can be seen, the MCF-7 & NCI-H-292 proved to be the most sensitive strains, because of the activity of composite material [6].…”

Section: Drug Delivery 21 Anti-cancermentioning

confidence: 81%

Biomedical Applications of Nanomaterials: Nanotubes and Metal-Organic Frameworks (MOFs)

Martell-Mendoza¹,

Pérez-González²,

Beltrán³

et al. 2020

Biochemical Toxicology - Heavy Metals and Nanomaterials

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Nanomedicine plays an important role in the diagnosis, treatment, monitoring and control of biological systems in the area of nanotechnology and has been referred by the National Institute of Health (NIH) as an emergent way of medicine. Nanoparticles are new delivery vehicles with the ability to release drugs to a specific cell type or tissue, which may also improve the pharmacological activity of those drugs by controlling their release, as well as prolonging their short half-lives in blood. The aim of this review is to gather several options of MOFs and nanotubes synthesised with different nanoparticles and processes, some including compound loading and release studies, with particular focus on 13 anti-cancer compounds e.g. doxorubicin, curcumin, methotrexate, etc.; 3 anti-inflammatory compounds, namely ibuprofen, salicylic acid and chlorogenic acid; and with 5 miscellaneous bioactive compounds, including rifampicin, griseofulvin, enoxacin, etc. Finally, other biomedical applications for these composites are shown, like being enzyme immobilisation agents, for water treatment e.g. in swimming pools, and other becoming support to carry & secure integrity of drugs.

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Section: Drug Delivery 21 Anti-cancermentioning

confidence: 81%

Biomedical Applications of Nanomaterials: Nanotubes and Metal-Organic Frameworks (MOFs)

Martell-Mendoza¹,

Pérez-González²,

Beltrán³

et al. 2020

Biochemical Toxicology - Heavy Metals and Nanomaterials

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“…Thus, theoretical prediction can assist the experimental chemist or it can challenge the experimental. For example, a host–guest complex between MOF as host and doxorubicin drug as a guest is investigated using an experimental and theoretical study to explore MOF potential application for DOX delivery by Junior et al 27 . The experimental studies are performed by XRPD, FTIR, and UV–Vis spectroscopy to investigated the DOX loading, release profile, and cytotoxicity in vitro.…”

Section: Introductionmentioning

confidence: 99%

Nanotechnology-based approaches for targeting and delivery of drugs via Hexakis (m-PE) macrocycles

Pasban

Raissi

2021

Sci Rep

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Hexakis (m-phenylene ethynylene) (m-PE) macrocycles, with aromatic backbones and multiple hydrogen-bonding side chains, had a very high propensity to self-assemble via H-bond and π–π stacking interactions to form nanotubular structures with defined inner pores. Such stacking of rigid macrocycles is leading to novel applications that enable the researchers to explored mass transport in the sub-nanometer scale. Herein, we performed density functional theory (DFT) calculations to examine the drug delivery performance of the hexakis dimer as a novel carrier for doxorubicin (DOX) agent in the chloroform and water solvents. Based on the DFT results, it is found that the adsorption of DOX on the carrier surface is typically physisorption with the adsorption strength values of − 115.14 and − 83.37 kJ/mol in outside and inside complexes, respectively, and so that the essence of the drug remains intact. The negative values of the binding energies for all complexes indicate the stability of the drug molecule inside and outside the carrier's cavities. The energy decomposition analysis (EDA) has also been performed and shown that the dispersion interaction has an essential role in stabilizing the drug-hexakis dimer complexes. To further explore the electronic properties of dox, the partial density of states (PDOS and TDOS) are calculated. The atom in molecules (AIM) and Becke surface (BS) methods are also analyzed to provide an inside view of the nature and strength of the H-bonding interactions in complexes. The obtained results indicate that in all studied complexes, H-bond formation is the driving force in the stabilization of these structures, and also chloroform solvent is more favorable than the water solution. Overall, our findings offer insightful information on the efficient utilization of hexakis dimer as drug delivery systems to deliver anti-cancer drugs.

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“… 15,16 These structures are used for drug delivery 17 and have been studied to form the drug-MOF system (drug@MOF). 18 This system has the advantage of promoting the continuous and controlled release of the drug in the plasma. 19 This possibility can impact the side effects of using drug concentrations 20 exceeding the therapeutic range.…”

Section: Introductionmentioning

confidence: 99%

Theoretical evaluation of the performance of IRMOFs and M-MOF-74 in the formation of 5-fluorouracil@MOF

Rodrigues

Martins

2021

RSC Adv.

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Host-guest interaction of ZnBDC-MOF + doxorubicin: A theoretical and experimental study

Cited by 15 publications

References 40 publications

Biomedical Applications of Nanomaterials: Nanotubes and Metal-Organic Frameworks (MOFs)

Biomedical Applications of Nanomaterials: Nanotubes and Metal-Organic Frameworks (MOFs)

Nanotechnology-based approaches for targeting and delivery of drugs via Hexakis (m-PE) macrocycles

Theoretical evaluation of the performance of IRMOFs and M-MOF-74 in the formation of 5-fluorouracil@MOF

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