Anticancer activity of Indonesian Melia azedarach L.: Phyto-chemistry, in vitro and in silico studies.

Autor: Nugraha, Ari Satia, Firli, Lilla Nur, Hendra, Rudi, Keller, Paul A., Purwoko, Reza Yuridian, Idrus, Hasta Handayani, Ritawidya, Rien, Febrian, Muhamad B., Mahendra, Isa, Kurniawan, Ahmad, Forentin, Alfian M., Susilo, Veronika Y., Kusumaningrum, Crhisterra E., Setiadi, Yanuar, Wongso, Hendris
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Zdroj: Journal of Biologically Active Products from Nature; Feb2023, Vol. 13 Issue 1, p12-26, 15p
Abstrakt: This study describes the isolation of bioactive compounds and their in vitro anticancer activities from Melia azedarach L leaves from Karanglor, Karangan, Karanganom Klaten, Central Java-Indonesia. Isolated and characterised were the phenolics, kaempferol 7-O-rutinoside 1 and 4-methoxyresorcinol 3, The anticancer activity of the crude methanol extract of M. azedarach against a number cell lines (LNCaP, MDA-MB-231, and MCF-7) was found to be moderate; kaempferol derivatives were notable for their antiproliferative activities. Computational analysis, including molecular docking simulations and molecular dynamic studies, were used to investigate the feasibility of radiolabelled versions of 1 and 3 as theranostic agents targeting tyrosine kinase-type cell surface receptor HER2 in cancer - the iodinated derivatives 2 and 4, respectively, were used in this investigation as surrogates. The corresponding radioiodinated 2 and 4 were found to have high binding affinities of 10.1 and 5.7 kcal/mol, respectively, and have a good stability on the receptor. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index