Design, Synthesis, Docking, 2D‐QSAR Modelling, Anticancer and Antioxidant Evaluation of Some New Azo‐Compounds Derivatives and Investigation of Their Fluorescence Properties
Eman O. Hamed, Doaa A. Elsayed, Mohamed G. Assy, Wesam S. Shehab
Abstract
Abstract 2,2′ (2,4‐dioxopentane‐3,3‐diyl) bis(diazene‐2,1‐diyl) dibenzoic acid was produced in this work, which was derived from the coupling reaction between two moles of diazonium salt and one mole of acetylacetone in an alkaline medium. Some derivatives based on this starting material were investigated. The structures of the good yielded synthesized composites were well characterized by different spectral techniques such as IR, 1 H‐ NMR, 13 C‐ NMR, and mass spectrometry. Due to the outrageous spread of cancer, these compounds were tested for the cytotoxicity against human tumor cells (HEPG‐2) and (MCF‐7) as a wide spread type of cancers in Egypt. The study illustrated that compounds 11a and 11b had a very powerful effect on two separate cell lines (HEPG‐2 and MCF‐7) and compounds 8 and 6 had a strong effect. The results of anticancer were supported by molecular docking and 2D‐QSAR modeling. In addition to testing the compounds as anticancer drugs, they were examined as antioxidant by using [DPPH] technique, antimicrobial activity (gram‐positive and gram‐negative) and antifungal activity which provided satisfactory results. The fluorescence properties were tested as an analytical application for the produced substances with good results.