In vitro and in silico cytotoxicity effects of Zanthoxylum simulans Hance. fruit bark extract against gastric cancer cell lines

Bui Thanh Tung; Nguyen Thi Thuy; Le Thi Huong; Tran Hoang Mai; Vu Manh Ha; Do Thi Hong Khanh

In vitro and in silico cytotoxicity effects of Zanthoxylum simulans Hance. fruit bark extract against gastric cancer cell lines

Abstract

Zanthoxylum simulans Hance. is known in folklore as a spicy herb, commonly used to treat cold-induced diseases in the body. In this study, we evaluated the cytotoxic effects of Zanthoxylum simulans fruit bark extract. Samples of Zanthoxylum simulans were extracted with 70% ethanol and subsequently fractionated with n-Hexane, ethyl acetate (EtOAc), and n-butanol (n-BuOH) solvents. To evaluate the in vitro cytotoxic effect, we performed SRB (Sulforhodamine B) assay on the cell lines of human gastric MKN-7. In this study, we also used molecular docking method to evaluate the inhibition abilities of MAPK1 and AKT1 receptors of 120 compounds in Zanthoxylum simulans Hance. The in vitro cytotoxic results showed that the n-Hexane total extract had the strongest cytotoxicity effects on gastric cancer cells with an IC50 of 23.65±1.75 mg/ml. The results cytotoxic effects on MNK-7 gastric cancer cells of these fractions showed that the EtOAc and EtOH fractions exhibited activity with IC50 values of 35.61±2.90 and 50.67±3.82 µg/mL, respectively; while the BuOH and H2O fractions showed no activity. The molecular docking results showed five compounds that inhibit both MAPK1 and AKT1 targets including Simulanoquinoline, N-acetylanonaine, N-acetyldehydroanonaine, Oxyavicine, and Benzosimuline. Therefore, our results showed that Zanthoxylum simulans fruit bark extract has a strong cytotoxicity effect on gastric cancer cells. In vivo studies of these potential compounds should be carried out to become anti-cancer drugs in the future.

Keywords

References

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Details

Primary Language

English

Subjects

Basic Pharmacology

Journal Section

Research Article

Authors

Bui Thanh Tung ^* This is me
0000-0002-7308-5039
Vietnam

Nguyen Thi Thuy This is me
0000-0001-9838-2577
Vietnam

Le Thi Huong This is me
0009-0006-3725-7637
Vietnam

Tran Hoang Mai This is me
0009-0004-4699-5506
Vietnam

Vu Manh Ha This is me
0009-0005-6850-2810
Vietnam

Do Thi Hong Khanh This is me
0009-0009-2008-3513
Vietnam

Publication Date

June 28, 2025

Submission Date

April 5, 2023

Acceptance Date

June 21, 2023

Published in Issue

Year 2024 Volume: 28 Number: 1

IZ

https://izlik.org/JA92JM47BL

Cite

RIS / Bibtex

APA

Tung, B. T., Thuy, N. T., Huong, L. T., Mai, T. H., Ha, V. M., & Khanh, D. T. H. (2025). In vitro and in silico cytotoxicity effects of Zanthoxylum simulans Hance. fruit bark extract against gastric cancer cell lines. Journal of Research in Pharmacy, 28(1), 110-125. https://izlik.org/JA92JM47BL

AMA

1.Tung BT, Thuy NT, Huong LT, Mai TH, Ha VM, Khanh DTH. In vitro and in silico cytotoxicity effects of Zanthoxylum simulans Hance. fruit bark extract against gastric cancer cell lines. J. Res. Pharm. 2025;28(1):110-125. https://izlik.org/JA92JM47BL

Chicago

Tung, Bui Thanh, Nguyen Thi Thuy, Le Thi Huong, Tran Hoang Mai, Vu Manh Ha, and Do Thi Hong Khanh. 2025. “In Vitro and in Silico Cytotoxicity Effects of Zanthoxylum Simulans Hance. Fruit Bark Extract Against Gastric Cancer Cell Lines”. Journal of Research in Pharmacy 28 (1): 110-25. https://izlik.org/JA92JM47BL.

EndNote

Tung BT, Thuy NT, Huong LT, Mai TH, Ha VM, Khanh DTH (June 1, 2025) In vitro and in silico cytotoxicity effects of Zanthoxylum simulans Hance. fruit bark extract against gastric cancer cell lines. Journal of Research in Pharmacy 28 1 110–125.

IEEE

[1]B. T. Tung, N. T. Thuy, L. T. Huong, T. H. Mai, V. M. Ha, and D. T. H. Khanh, “In vitro and in silico cytotoxicity effects of Zanthoxylum simulans Hance. fruit bark extract against gastric cancer cell lines”, J. Res. Pharm., vol. 28, no. 1, pp. 110–125, June 2025, [Online]. Available: https://izlik.org/JA92JM47BL

ISNAD

Tung, Bui Thanh - Thuy, Nguyen Thi - Huong, Le Thi - Mai, Tran Hoang - Ha, Vu Manh - Khanh, Do Thi Hong. “In Vitro and in Silico Cytotoxicity Effects of Zanthoxylum Simulans Hance. Fruit Bark Extract Against Gastric Cancer Cell Lines”. Journal of Research in Pharmacy 28/1 (June 1, 2025): 110-125. https://izlik.org/JA92JM47BL.

JAMA

1.Tung BT, Thuy NT, Huong LT, Mai TH, Ha VM, Khanh DTH. In vitro and in silico cytotoxicity effects of Zanthoxylum simulans Hance. fruit bark extract against gastric cancer cell lines. J. Res. Pharm. 2025;28:110–125.

MLA

Tung, Bui Thanh, et al. “In Vitro and in Silico Cytotoxicity Effects of Zanthoxylum Simulans Hance. Fruit Bark Extract Against Gastric Cancer Cell Lines”. Journal of Research in Pharmacy, vol. 28, no. 1, June 2025, pp. 110-25, https://izlik.org/JA92JM47BL.

Vancouver

1.Bui Thanh Tung, Nguyen Thi Thuy, Le Thi Huong, Tran Hoang Mai, Vu Manh Ha, Do Thi Hong Khanh. In vitro and in silico cytotoxicity effects of Zanthoxylum simulans Hance. fruit bark extract against gastric cancer cell lines. J. Res. Pharm. [Internet]. 2025 Jun. 1;28(1):110-25. Available from: https://izlik.org/JA92JM47BL