SupraBank - Encapsulation of Chemotherapeutic Drug Melphalan in Cucurbit[7]uril: Effects on Its Alkylating Activity, Hydrolysis, and Cytotoxicity

DOI:: https://doi.org/10.34804/supra.20210928357
Title:: Encapsulation of Chemotherapeutic Drug Melphalan in Cucurbit[7]uril: Effects on Its Alkylating Activity, Hydrolysis, and Cytotoxicity

Description:: The formation of inclusion complexes between drugs and macrocycles has proven to be an effective strategy to increase solubilization and stabilization of the drug, while in several cases improving their biological activity. In this context, we explored the formation of an inclusion complex between chemotherapeutic drug Melphalan (Mel) and cucurbit[7]uril (CB[7]), and studied its effect on Mel alkylating activity, hydrolysis, and cytotoxicity. The formation of the inclusion complex (Mel@CB[7]) was proven by absorption and fluorescence spectroscopy, NMR, docking studies, and molecular dynamics simulations. The binding constant for Mel and CB[7] was fairly high at pH 1 ((1.7 ± 0.7) × 106 M–1), whereas no binding was observed at neutral pH. The Mel@CB[7] complex showed a slightly decreased alkylating activity, whereas the cytotoxicity on the HL-60 cell line was maintained. The formation of the complex did not protect Mel from hydrolysis, and this result is discussed based on the simulated structure for the complex.

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Creators:: | | Gustavo Villarroel-Lecourt; | | Javiera Carrasco-Carvajal; | | Felipe Andrade-Villalobos; | | Fresia Solís-Egaña; | | Ignacio Merino-San Martín; | | José Robinson-Duggon; | | Denis Fuentealba
Contributers:: | | Amrutha Prabodh | DataManager

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Citation:	G. Villarroel-Lecourt, J. Carrasco-Carvajal, F. Andrade-Villalobos, F. Solís-Egaña, I. Merino-San Martín, J. Robinson-Duggon, D. Fuentealba, SupraBank 2024, Encapsulation of Chemotherapeutic Drug Melphalan in Cucurbit[7]uril: Effects on Its Alkylating Activity, Hydrolysis, and Cytotoxicity (dataset). https://doi.org/10.34804/supra.20210928357
Link:	https://doi.org/10.34804/supra.20210928357
Export:	BibTex \| RIS \| EndNote

Citation:	G. Villarroel-Lecourt, J. Carrasco-Carvajal, F. Andrade-Villalobos, F. Solís-Egaña, I. Merino-San Martín, J. Robinson-Duggon, D. Fuentealba, ACS Omega 2018, 3, 8337–8343.
Link:	https://doi.org/10.1021/acsomega.8b01335
Export:	BibTex \| RIS \| EndNote \|