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

New analog alpha-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 insilicomolecular docking by Avogadro, AutoDockTools, Discovery Studio 2019 Client, and Molegro Molecular Viewer packages. The3cand3hdisplayed excellent inhibition againstCandida albicansandSaccharomyces cerevisiaefungi, respectively. The molecular docking model indicated the reasonable explanations between the receptor and bioactive compounds in vitro of3c,3 h, and3b. The3cwas shown as an excellent inhibitor againstCandida albicans, which was a new result in vitro and insilicomolecular docking model. The3c,3 f, and3ipointed out excellent inhibitions against HeLa cell lines and new anticancer results of alpha-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 ofN-Hgroup, oxygen atom of the P=O double bond group, and the fluorine atoms of the CF(3)group in3ifor calculated docking of the receptors of bacteria, fungi, and cancer cell lines to all ligands.