title: Synthesis biological screening and molecular docking studies of some tin (IV) Schiff base adducts.
abstract: The search for an alternative to platinum anticancer agents is a major motivation for continuing investigations concerning the antitumor properties of other transition metal-based compounds. Keeping this in view, synthesis, antitumor and antimicrobial activity of diorganotin (IV) complexes was studied. A novel series of diorganotin (IV) complexes of the Schiff base ligand derived from 7-methoxy-2-hydroxy-1-naphthaldehyde, 1,2-phenylenediamine, Salicylaldehyde were synthesized. Physical and spectral examination was done through various techniques using elemental analyses, IR,1H,13C,119Sn NMR, and119mSn Mössbauer techniques respectively. The results obtained are in good agreement with 1:1:1 stoichiometry of Schiff base and 2:1 stoichiometry of the complexes. Octahedral geometry was assigned to all the synthesized complexes within six (6) coordination number around the tin. Antitumor activity was screened against human oral epidermoid carcinoma (KB) cell line. The diethyltin (IV) complex 2 showed the most promising cytotoxic results (IC50=0.35μM) against the cell line which is comparable with cisplatin (IC50=0.37μM). Docking studies revealed that these complexes can bind favorably within cisplatin binding site and the binding energy of complex 2 is more than that of cisplatin. Furthermore, binding of these complexes on human topoisomerase IIα enzyme and revealed that these complexes intercalating within the inter-strand of DNA showing interactions with DNA as well as protein that may results in DNA damage and cell death.
authors.affiliation: Department of Chemistry, Hazara University, Mansehra, Pakistan. Electronic address: sono_waj@yahoo.com.
authors.forename: Wajid
authors.initials: W
authors.lastname: Rehman
authors.affiliation: Department of Chemistry, Gomal University, Dera Ismail Khan, Pakistan.
authors.forename: Rehana
authors.initials: R
authors.lastname: Yasmeen
authors.affiliation: Department of Chemistry, Hazara University, Mansehra, Pakistan.
authors.forename: Fazal
authors.initials: F
authors.lastname: Rahim
authors.affiliation: Department of Physics, COMSATS Institute of Information Technology, Islamabad 44000, Pakistan.
authors.forename: Muhammad
authors.initials: M
authors.lastname: Waseem
authors.affiliation: School of Chemistry and Chemical Engineering, University of Chinese Academy of Sciences, Beijing 101408, PR China. Electronic address: cyguo@ucas.ac.cn.
authors.forename: Cun-Yue
authors.initials: CY
authors.lastname: Guo
authors.affiliation: Department of Internal Medicine II, Klinikum rechts der Isar, Technical University of Munich, Munich, Germany.
authors.forename: Zonera
authors.initials: Z
authors.lastname: Hassan
authors.affiliation: Department of Chemistry, COMSATS Institute of Information Technology, Abbottabad 22060, Pakistan. Electronic address: umerrashid@ciit.net.pk.
authors.forename: Umer
authors.initials: U
authors.lastname: Rashid
authors.affiliation: Department of Chemistry, COMSATS Institute of Information Technology, Abbottabad 22060, Pakistan.
authors.forename: Khurshid
authors.initials: K
authors.lastname: Ayub
mesh_terms: D000900:Anti-Bacterial Agents / Q000494:pharmacology; D000970:Antineoplastic Agents / Q000494:pharmacology; D009682:Magnetic Resonance Spectroscopy; D062105:Molecular Docking Simulation; D012545:Schiff Bases / Q000737:chemistry*; D013055:Spectrophotometry, Infrared; D013056:Spectrophotometry, Ultraviolet; D014001:Tin / Q000737:chemistry*
chemical_list: D000900:Anti-Bacterial Agents; D000970:Antineoplastic Agents; D012545:Schiff Bases; D014001:Tin
keywords: Antitumor activity; Cisplatin; Organotin; Schiff base; Topoisomerases