LC-HRMS Profiling and Integrated In Silico-In Vitro Evaluation of Phenolics, Flavonoids, Antioxidant, and Cytotoxic Activities of Typhonium flagelliforme Leaves Against MCF-7 Cells Dede Komarudin (a), Abdul Mun im (a*), Marissa Angelina (b), Ermin Katrin (c), Susanto Susanto (c), Yulis Adriana (d), Hendig Winarno (c)
a Faculty of Pharmacy, Universitas Indonesia, Depok, 16424, West Java, Indonesia
b Research Center for Pharmaceutical Ingredient and Traditional Medicine, National Research and Innovation Agency (BRIN), KST Soekarno, Cibinong, Jawa Barat, 16911, Indonesia
c Research Center for Radiation Process Technology, Research Organization for Nuclear Energy, National Research and Innovation Agency, KST. B.J. Habibie, South Tangerang, 15314, Indonesia
d Department of Pharmacy, Institute Science and Technology Al-Kamal, South Kedoya, Kebon Jeruk, West Jakarta, 11520, Indonesia
a* munim[at]farmasi.ui.ac.id
Abstract
Typhonium flagelliforme (TF) is a medicinal plant from Indonesia belonging to the Araceae family, it is claimed to have potential as an anticancer agent. This study aims to characterize the phytochemical profile of TF leaves via Liquid Chromatography High-Resolution Mass Spectrometry, both in silico and in vitro to assess cytotoxic effects on the MCF-7 breast cancer cell line. This study measured the antioxidant activity, total phenolic content (TPC), and total flavonoid content (TFC) of TF leaves extract. The extract was prepared using n-hexane, ethyl acetate, and ethanol as solvents via gradient maceration. Cytotoxicity testing of MCF-7 cells using trypan blue staining yielded IC50 values of 28.37 ppm for the n-hexane extract, 19.82 ppm for the ethyl acetate extract, and 24.38 ppm for the ethanol extract. Phytochemical analysis showed the presence of isovitexin (NP-018730), 5,7-Dihydroxy-2-(4-hydroxyphenyl)-6,8-bis[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-4H-chromen-4-one, schaftoside, (1E)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-D-galactitol, and corymboside in the ethyl acetate extract. Results of ligand-receptor docking on the estrogen alpha receptor in MCF-7 cells indicated that (1ξ-)-1,5-Anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-D-galactitol and isovitexin exhibits a strong binding affinity. The ethyl acetate has antioxidant activity of 87.57 ppm, TPC of 61.55 mg GAE/g, and TFC of 35.08 mg QE/g. Ethyl acetate is a potential test material based on cytotoxicity screening tests on MCF-7 cells and all tests conducted.
Keywords: Cytotoxicity, In silico, In vitro, MCF-7, Typhonium flagelliforme
