Latonduine-1-Amino-Hydantoin Hybrid, Triazole-Fused Latonduine Schiff Bases and Their Metal Complexes: Synthesis, X-ray and Electron Diffraction, Molecular Docking Studies and Antiproliferative Activity

A series of latonduine derivatives, namely 11-nitro-indolo[2,3-d]benzazepine-7-(1-amino-hydantoin) (B), triazole-fused indolo[2,3-d]benzazepine-based Schiff bases HL1 and HL2 metal complexes [M(p-cymene)(HL1)Cl]Cl, where M = Ru (1), Os (2), [Cu(HL2)Cl2] (3) were synthesized characterized by spectroscopic techniques (UV–vis, 1H, 13C, 15N–1H HSQC NMR) ESI mass spectrometry. The molecular structures B confirmed single-crystal X-ray diffraction, while that 3 electron diffraction nanometer size crystalline sample. Molecular docking calculations species in the binding pocket PIM-1 enzyme revealed 1-amino-hydantoin moiety is not involved any hydrogen-bonding interactions, even though a good accommodation host molecule ATP was found. antiproliferative activity organic compounds B, HL2, as well 1–3 investigated lung adenocarcinoma A549, colon LS-174 triple-negative breast MDA-MB-231 cells normal human fibroblast MRC-5 MTT assays; then, results are discussed.