Inclusion complexes of β-cyclodextrin with tricyclic drugs: an X-ray diffraction, NMR and molecular dynamics study

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• Zagami, R.; Barattucci, A.; Monsù Scolaro, L.; Viale, M.; Raffaini, G.; Maria Bonaccorsi, P.; Mazzaglia, A. Curcumin/amphiphilic cyclodextrin nanoassemblies: Theoretical and spectroscopic studies to address their debut in anticancer therapy. Journal of Molecular Liquids 2023, 389, 122841. doi:10.1016/j.molliq.2023.122841
• Kou, X.; Su, D.; Pan, F.; Xu, X.; Meng, Q.; Ke, Q. Molecular dynamics simulation techniques and their application to aroma compounds/cyclodextrin inclusion complexes: A review. Carbohydrate polymers 2023, 324, 121524. doi:10.1016/j.carbpol.2023.121524
• Raffaini, G. Adsorption and Self-Aggregation of Chiral [5]-Aza[6]helicenes on DNA Architecture: A Molecular Dynamics Study. The journal of physical chemistry. B 2023, 127, 8285–8295. doi:10.1021/acs.jpcb.3c02487
• Megariotis, G.; Mikaelian, G.; Avramopoulos, A.; Romanos, N.; Theodorou, D. N. Molecular simulations of fluoxetine in hydrated lipid bilayers, as well as in aqueous solutions containing β-cyclodextrin. Journal of molecular graphics & modelling 2022, 117, 108305. doi:10.1016/j.jmgm.2022.108305
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• Bayramol, D. V.; Atav, R.; Ağırgan, A. Ö.; Yildiz, A. Innovative and Emerging Technologies for Textile Dyeing and Finishing; Wiley, 2021; pp 165–190. doi:10.1002/9781119710288.ch6
• Kost, B.; Brzeziński, M.; Zimnicka, M.; Socka, M.; Wielgus, E.; Słowianek, M.; Biela, T. PLA Stereocomplexed Microspheres Modified with Methyl-β-Cyclodextrin as an Atropine Delivery System. Synthesis and Characterization. Materials Today Communications 2020, 25, 101605. doi:10.1016/j.mtcomm.2020.101605
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• Aree, T. β-Cyclodextrin encapsulation of nortriptyline HCl and amitriptyline HCl: Molecular insights from single-crystal X-ray diffraction and DFT calculation. International journal of pharmaceutics 2019, 575, 118899. doi:10.1016/j.ijpharm.2019.118899
• Li, S.; Tang, Y.; Zhang, X.; Dou, Y.; Shen, X. Preparation and characterization of diclofenac sodium β-cyclodextrin inclusion complex eye drops. Journal of Inclusion Phenomena and Macrocyclic Chemistry 2019, 94, 85–94. doi:10.1007/s10847-019-00910-0

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