2. Academic Validation
  3. In silico and in vitro studies on the anti-cancer activity of artemetin, vitexicarpin and penduletin compounds from Vitex negundo

In silico and in vitro studies on the anti-cancer activity of artemetin, vitexicarpin and penduletin compounds from Vitex negundo

  • Saudi Pharm J. 2022 Sep;30(9):1301-1314. doi: 10.1016/j.jsps.2022.06.018.
Giau Van Vo 1 2 3,  Thi-Hoai-Thu Nguyen 4,  Thi-Phuong Nguyen 5,  Thi-Hong-Tuoi Do 6,  Nguyen-Minh-An Tran 7,  Huy Truong Nguyen 8,  Thuy Trang Nguyen 9
Affiliations

Affiliations

  • 1 Department of Biomedical Engineering, School of Medicine, Vietnam National University - Ho Chi Minh City (VNU-HCM), Ho Chi Minh City 70000, Vietnam.
  • 2 Research Center for Genetics and Reproductive Health (CGRH), School of Medicine, Vietnam National University, Ho Chi Minh City (VNU-HCM), Ho Chi Minh City 70000, Vietnam.
  • 3 Vietnam National University Ho Chi Minh City (VNU-HCM), Ho Chi Minh City 70000, Vietnam.
  • 4 Faculty of Basic Sciences, University of Medicine and Pharmacy at Ho Chi Minh City, 217 Hong Bang Street, Dist. 5, Ho Chi Minh City 72714, Vietnam.
  • 5 NTT Hi-Tech Institute, Nguyen Tat Thanh University, Ho Chi Minh City 70000, Vietnam.
  • 6 Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, 41 Dinh Tien Hoang Street, Dist. 1, Ho Chi Minh City 72714, Vietnam.
  • 7 Faculty of Chemical Engineering, Industrial University of Ho Chi Minh City, Ho Chi Minh City 71420, Vietnam.
  • 8 Application in Pharmaceutical Sciences Research Group, Faculty of Pharmacy, Ton Duc Thang University, Ho Chi Minh City, Vietnam.
  • 9 Faculty of Pharmacy, HUTECH University, Ho Chi Minh City 70000, Vietnam.
PMID: 36249935 DOI: 10.1016/j.jsps.2022.06.018
Abstract

Vitex negundo L. (V. negundo) is one of the important medicinal and Anticancer enhancer herbs. This plant is commonly used in the preparation of traditional drugs to treat numerous diseases. Inspired by the medicinal properties of this plant, the current study aimed to investigate antiproliferative potential and the primary molecular mechanisms of the apoptotic induction against human HepG2 and MCF-7 cell lines, by pure compounds isolated from targeted fractions of V. negundo which were characterized by NMR, FTIR and HRMS analysis and identified as artemetin (FLV1), vitexicarpin (FLV2), and penduletin (FLV3) compounds. The FLV1, FLV2, and FLV3 compounds were evaluated for the antiproliferative potential against HepG2 and MCF-7 cell lines by cell viability assay and exhibited IC50 values of 2.3, 23.9 and 5.6 µM and 3.9, 25.8, and 6.4 µM, respectively. In addition, those compounds increased the level of Reactive Oxygen Species production, induced cell death occurred via Apoptosis, demonstrated by Annexin V-staining cells, contributed significantly to DNA damage, and led to the activation of caspase3/caspase8 pathways.Additionally, molecular docking was also conducted to rationalize the Cancer cells inhibitory and to evaluate the ability of the FLV1, FLV2, and FLV3 compounds to be developed as good drug candidates for cancers treatment.

Keywords

Anticancer; Artemetin; Docking; HepG2; MCF-7; Penduletin; Vitex negundo; Vitexicarpin.

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