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4.8

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Journal of Multidisciplinary Applied Natural Science

ISSN (eletronic): 2774-3047


Vol. 5 Issue 1 (2025) Articles https://doi.org/10.47352/jmans.2774-3047.231

Evaluation of Xanthone and Cinnamoylbenzene as Anticancer Agents for Breast Cancer Cell Lines through In Vitro and In Silico Assays

Yehezkiel Steven Kurniawan Hanif Amrulloh Ervan Yudha Nela Fatmasari Faris Hermawan Anggit Fitria Harno Dwi Pranowo Eti Nurwening Sholikhah Jumina Jumina

Author information

Yehezkiel Steven Kurniawan

https://orcid.org/0000-0002-4547-239X

Author information

Hanif Amrulloh

https://orcid.org/0000-0001-7458-9258
  • amrulloh.h@umala.ac.id
  • Department of Islamic Primary School Teacher Education, Universitas Ma’arif Lampung, Metro-34114 (Indonesia)
  • Biography not informed.

Author information

Ervan Yudha

https://orcid.org/0009-0004-6955-4885
  • ervanyudha@mail.ugm.ac.id
  • Department of Chemistry, Universitas Gadjah Mada, Yogyakarta-55281 (Indonesia)
  • Biography not informed.

Author information

Nela Fatmasari

https://orcid.org/0000-0003-0376-8923

Author information

Faris Hermawan

https://orcid.org/0009-0006-6923-4050
  • fari025@brin.go.id
  • Research Center for Pharmaceutical Ingredient and Traditional Medicine, National Research and Innovation Agency (BRIN), Tangerang Selatan-15314 (Indonesia)
  • Biography not informed.

Author information

Anggit Fitria

https://orcid.org/0009-0006-6923-4050

Author information

Harno Dwi Pranowo

https://orcid.org/0000-0002-0223-5036
  • harnodp@ugm.ac.id
  • Department of Chemistry, Universitas Gadjah Mada, Yogyakarta-55281 (Indonesia)
  • Biography not informed.

Author information

Eti Nurwening Sholikhah

https://orcid.org/0000-0002-6545-8691
  • etinurweningsholikhah@ugm.ac.id
  • Department of Pharmacology and Therapy, Public Health, and Nursing, Universitas Gadjah Mada, Yogyakarta-55281 (Indonesia)
  • Biography not informed.

Author information

Jumina Jumina

https://orcid.org/0000-0003-2604-7838
  • jumina@ugm.ac.id
  • Department of Chemistry, Universitas Gadjah Mada, Yogyakarta-55281 (Indonesia)
  • Biography not informed.

Published in: October 28, 2024

[1]
Y. S. Kurniawan, “Evaluation of Xanthone and Cinnamoylbenzene as Anticancer Agents for Breast Cancer Cell Lines through In Vitro and In Silico Assays”, J. Multidiscip. Appl. Nat. Sci., vol. 5, no. 1, pp. 87–102, Oct. 2024.

Abstract

Breast cancer is a severe global disease for women as the number of deaths increases annually. Therefore, attempts to find new anticancer agents are critical and inevitable. In this work, we report the investigation on the anticancer activity of xanthone and cinnamoylbenzene compounds against two breast cancer cell lines, i.e., T47D and MCF-7, through experimental in vitro and theoretical in silico assays. Xanthone and cinnamoylbenzene exhibit anticancer activity with a half-maximal inhibitory concentration (IC50) of 136.7–194.3 and 235.8–262.4 µg/mL against T47D and MCF-7 cancer cells, respectively. Cinnamoylbenzene generates less cytotoxicity to normal Vero cells with a selectivity index of 1.095–2.102. The molecular docking studies agree with the experimental data in which cinnamoylbenzene is more active against T47D with an IC50 of 136.7 µg/mL due to Topoisomerase II inhibition through π-π stacked interactions with Adenine12 and Guanine13 nitrogen bases. Meanwhile, xanthone is more active against MCF-7 with an IC50 of 235.8 µg/mL due to EGFR inhibition through van der Waals interaction and hydrogen bond with Glutamic acid767 and Methionine769 amino acid residues, respectively. Additionally, the pharmacokinetic parameters of xanthone and cinnamoylbenzene are predicted through absorption, distribution, metabolism, excretion, and toxicity (ADMET) analysis, and they show better suitability than doxorubicin as the commercial anticancer drug.

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