Green Synthesis Using PEG‐400 Catalyst, Antimicrobial Activities, Cytotoxicity and In Silico Molecular Docking of New Carbazole Based on α‐Aminophosphonate

Abstract

AbstractNew analog α–amino phosphate series with high yield through an effective and environmentally friendly protocol using the PEG‐400 catalyst via Kabachnik‐Fields has been reported. They were performed to screen antimicrobial activities by the dish diffusion method, anticancer against MCF‐7, A‐549, and HeLa human cancer cell lines by MTT assay, and carried out in silico molecular docking by Avogadro, AutoDockTools, Discovery Studio 2019 Client, and Molegro Molecular Viewer packages. The 3c and 3h displayed excellent inhibition against Candida albicans and Saccharomyces cerevisiae fungi, respectively. The molecular docking model indicated the reasonable explanations between the receptor and bioactive compounds in vitro of 3c, 3 h, and 3b. The 3c was shown as an excellent inhibitor against Candida albicans, which was a new result in vitro and in silico molecular docking model. The 3c, 3 f, and 3i pointed out excellent inhibitions against HeLa cell lines and new anticancer results of α–amino phosphate compounds. The docking studies of structures against receptors of three human cancer cell lines were conducted and recommended that the hydrogen bonds only formed from active sites of receptors to oxygen atom of the ethoxy group, nitrogen and hydrogen atoms of N−H group, oxygen atom of the P=O double bond group, and the fluorine atoms of the CF3 group in 3i for calculated docking of the receptors of bacteria, fungi, and cancer cell lines to all ligands.