Newly synthesized lanthanides complexes of ferrocene-based Schiff base with high biological activities and improved molecular docking data.

• Newly synthesized lanthanides complexes of ferrocene-based Schiff base. • These metal complexes were characterized using different spectroscopic, elemental analysis and thermal analysis. • Biological and anticancer activities were tested and promising activities. • Molecular docking was studied on two different proteins receptors of breast cancer mutant oxidoreductase (3HB5) and colon cancer isomerase (2HQ6). • Yb(III) complex can be used as breast and colon cancer drugs. Amino acids are the fundamental building blocks of proteins and are involved in all major biological activities. Schiff bases being active biological moieties and possessing diverse pharmacological activities. Herein, the previously synthesized Schiff base ligand (HL) underwent metal complex formation, to get their La(III), Er(III) and Yb(III) metal complexes. These metal complexes were characterized using different spectroscopic tools as elemental analysis, FT-IR, mass, UV-Vis spectra, thermal analysis (TG) and scanning electron microscope (SEM). According to the elemental analysis data, the complexes were found to have octahedral geometry with the formula [M(L)(H 2 O) 2 Cl]Cl.nH 2 O (M = La(III), n = 2; Er(III), n = 4 and Yb(III), n = 1). The ligand binds to the metal ions with mononegative tridentate mode through the carboxylic oxygen, imidazole nitrogen and azomethine nitrogen as deduced from the IR spectra. The complexes decomposed within two or three steps from room temperature to 1000 °C as elucidated from TG. Also, biological and anticancer activities were tested and promising activities. Molecular docking was studied on two different proteins, the receptor of breast cancer mutant oxidoreductase (3HB5) and the receptor of colon cancer isomerase (2HQ6). The results recommended that Yb(III) complex can be used as breast and colon cancer drugs. [Display omitted] [ABSTRACT FROM AUTHOR]