Design, synthesis, crystal structure, molecular docking studies of some diorganotin(IV) complexes derived from the piperonylic hydrazide Schiff base ligands as cytotoxic agents

Inspired by the role of organotin(IV) complexes in inhibition of cancer cell growth and interaction with different target proteins, we have synthesized a series of new organotin(IV) complexes of Schiff base ligands of benzylidene benzohydrazide analogues. The structural elucidation of compounds was done by spectroscopic studies showing tridentate nature (NOO) of Schiff base ligands having pentacoordinated geometry around the central tin metal. The X-ray crystallographic study of complex 9 (Me2SnL2) revealed the distorted trigonal bipyramidal geometry (SnO2NC2). The cytotoxic activity of compounds was tested against human cancer cell lines A549, Hela, MCF7 and normal cell line L6 using MTT assay. Compound 12 (Ph2SnL2), 14 (Et2SnL3), 19 (Bu2SnL4) was found most active against tested cell lines having IC50 value 22.909-32.303 mu M. Further, molecular docking study was performed for the active compounds 12, 14 and 20 at 3D space of enzymes Tyrosine kinase and EGFR kinase domain. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

A series of new organotin(IV) complexes were synthesized and their structures were elucidated; the cytotoxic activity of the complexes against human cancer cell lines and normal cell lines was tested, showing higher activity against cancer cell lines; further molecular docking studies were carried out, providing more insights into the activity of the compounds.