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10.3390/cells11213486
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Article

Dimethylmyricacene: An In Vitro and In Silico Study of a Semisynthetic Non-Camptothecin Derivative Compound, Targeting Human DNA Topoisomerase 1B

by
Alessio Ottaviani
1,2,*,
Federico Iacovelli
1,
Joshua Welsch
3,
Blasco Morozzo della Rocca
1,
Alessandro Desideri
1,
Mattia Falconi
1,
Laurent Calcul
3,
Bill J. Baker
3 and
Paola Fiorani
1,4
1
Department of Biology, University of Rome Tor Vergata, 00133 Rome, Italy
2
Department of Onco-Hematology, Gene and Cell Therapy, Bambino Gesù Children’s Hospital-IRCCS, 00146 Rome, Italy
3
Department of Chemistry, University of South Florida, Tampa, FL 33620, USA
4
Institute of Translational Pharmacology, National Research Council, CNR, 00133 Rome, Italy
*
Author to whom correspondence should be addressed.
Cells 2022, 11(21), 3486; https://doi.org/10.3390/cells11213486
Submission received: 16 September 2022 / Revised: 31 October 2022 / Accepted: 2 November 2022 / Published: 3 November 2022
(This article belongs to the Special Issue Natural Products in the Treatment of Cancer)
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Abstract

Human topoisomerase 1B regulates the topological state of supercoiled DNA enabling all fundamental cell processes. This enzyme, which is the unique molecular target of the natural anticancer compound camptothecin, acts by nicking one DNA strand and forming a transient protein–DNA covalent complex. The interaction of human topoisomerase 1B and dimethylmyricacene, a compound prepared semisynthetically from myricanol extracted from Myrica cerifera root bark, was investigated using enzymatic activity assays and molecular docking procedures. Dimethylmyricacene was shown to inhibit both the cleavage and the religation steps of the enzymatic reaction, and cell viability of A-253, FaDu, MCF-7, HeLa and HCT-116 tumor cell lines.
Keywords: human topoisomerase 1B; dimethylmyricacene; natural compound inhibition human topoisomerase 1B; dimethylmyricacene; natural compound inhibition

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MDPI and ACS Style

Ottaviani, A.; Iacovelli, F.; Welsch, J.; Morozzo della Rocca, B.; Desideri, A.; Falconi, M.; Calcul, L.; Baker, B.J.; Fiorani, P. Dimethylmyricacene: An In Vitro and In Silico Study of a Semisynthetic Non-Camptothecin Derivative Compound, Targeting Human DNA Topoisomerase 1B. Cells 2022, 11, 3486. https://doi.org/10.3390/cells11213486

AMA Style

Ottaviani A, Iacovelli F, Welsch J, Morozzo della Rocca B, Desideri A, Falconi M, Calcul L, Baker BJ, Fiorani P. Dimethylmyricacene: An In Vitro and In Silico Study of a Semisynthetic Non-Camptothecin Derivative Compound, Targeting Human DNA Topoisomerase 1B. Cells. 2022; 11(21):3486. https://doi.org/10.3390/cells11213486

Chicago/Turabian Style

Ottaviani, Alessio, Federico Iacovelli, Joshua Welsch, Blasco Morozzo della Rocca, Alessandro Desideri, Mattia Falconi, Laurent Calcul, Bill J. Baker, and Paola Fiorani. 2022. "Dimethylmyricacene: An In Vitro and In Silico Study of a Semisynthetic Non-Camptothecin Derivative Compound, Targeting Human DNA Topoisomerase 1B" Cells 11, no. 21: 3486. https://doi.org/10.3390/cells11213486

APA Style

Ottaviani, A., Iacovelli, F., Welsch, J., Morozzo della Rocca, B., Desideri, A., Falconi, M., Calcul, L., Baker, B. J., & Fiorani, P. (2022). Dimethylmyricacene: An In Vitro and In Silico Study of a Semisynthetic Non-Camptothecin Derivative Compound, Targeting Human DNA Topoisomerase 1B. Cells, 11(21), 3486. https://doi.org/10.3390/cells11213486

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