Design, synthesis of new 4,5-dibenzylidene-9,10-diphenyl-1,2,7,8,9,10 hexahydroacridine-3,6-dione derivatives using extract of Vitexnegundo: Cytotoxic activity & molecular docking study

Abstract

Among phytochemical and pharmaceutical investigations, the green production of silver nanoparticles has emerged as the crown jewel of this investigation. The production of acridinedione substances is greatly aided by the high catalytic activity of these nanoparticles. Structures and morphologies were determined by using a wide range of analytical techniques, including nuclear magnetic resonance (1H &13C), Fourier transform infrared spectroscopy, mass spectrometry, elemental investigation, scanning electron microscopy, also transmission electron microscopy. Acridinedione compounds' cytotoxicity was measured using the MTT assay with doxorubicin as the reference drug in a number of cancerous and healthy cell lines, comprising Human embryonic kidney cell (HEK293), liver cell (LO2), and lung cell (MRC5). The cytotoxicity compound 1h was shown to be especially active (HepG2, LC50-0.5 µM; MCF-7, LC50-0.64 µM; HeLa, LC50-0.52 µM). By eliciting IC50 values larger than 100 µg/M in normal cell lines (HEK-293), (LO2), and (MRC5), the synthesised compounds proved to be safe. In addition, we present the results from an in-silico analysis of the Methoxsalen protein (1Z11). The binding affinity of compound 1h for the 1Z11 protein is greater than that of other compounds (-11.7 kcal/mol), but it is less than that of Doxorubicin (-10.2 kcal/mol). Hence, the chemical 1h may be used to create powerful cancer drugs.

Keywords

• Silver nanoparticles
• Vitex negundo extract
• Acridinedione analogues
• Cytotoxicity
• Molecular docking