Antitumor and Antibacterial Activity of Ni(II), Cu(II), Ag(I), and Hg(II) Complexes with Ligand Derived from Thiosemicarbazones: Characterization and Theoretical Studies

Abstract

Four new complexes (Ni2+, Cu2+, Ag+, and Hg2+) were prepared from the ligand N-(4-chlorophenyl)-2-(phenylglycyl)hydrazine-1-carbothioamide (H2L). Analytical and spectroscopic techniques were used to clarify the structural composition of the new chelates. In addition, all chelates were tested against bacterial strains and the HepG2 cell line to determine their antiseptic and carcinogenic properties. The Ni(II) complex was preferable to the other chelates. Molecular optimization revealed that H2L had the highest reactivity, followed by Hg-chelate, Ag-chelate, Ni-chelate, and Cu-chelate. Moreover, molecular docking was investigated against two different proteins: the ribosyltransferase enzyme (code: 3GEY) and the EGFR tyrosine kinase receptor (code: 1m17).

Structural and biological studies of mononuclear metal (II) complexes containing hetero ligand based on 3‐acetylpyridine thiosemicarbazone

“…The proteins used are as follows: EGFR tyrosine kinase (PDB ID: 1 M17, anticancer activity) 37 Ribosyltransferase (code: 3GEY, antibacterial activity) 38 …”

Antimicrobial screening involving Helicobacter pylori of nano‐therapeutic compounds based on the amoxicillin antibiotic drug

“…18,19 A broad range of biological activities was reported due to several azomethines as anti-viral, anti-bacterial, and anti-fungal properties. [20][21][22][23][24][25] The activity becomes yet more fascinating when Schiff base offers a chelating environment around the metal ions. The mutagenic and carcinogenic potential of many Schiff bases has been previously studied.…”

“…The formed azomethine nitrogen has the propensity to bind almost all metal ions 18,19 . A broad range of biological activities was reported due to several azomethines as anti‐viral, anti‐bacterial, and anti‐fungal properties 20–25 . The activity becomes yet more fascinating when Schiff base offers a chelating environment around the metal ions.…”

Synthesis, Characterization and Biological Properties of Mn (II) and Cu (II) Complexes with Sulfonamide and Imidazole Derivatives: Genotoxicity, ADME Profile, and Molecular Docking Studies**

“…In the far IR spectra of complexes, the weak non‐ligand bands appeared at 459–531 cm −1 regions can be assigned to (M−N) and (M−O)[7,41,47]. The presence of coordinated and hydrated water in the complexes [48,49] is indicated by a broad band in the region 3400 cm −1 . In addition, new vibration bands in the 750–900 region were observed on the metal complexes assigned to the rocking modes of coordinated water [50,51] …”

“…For this reason, it is classified by the International Center for Research on Cancer as Group 3 (not classifiable as agent to its carcinogenicity to humans) [62] . It is negative in gene mutation test on bacteria, [49] but a high rate of chromosomal aberrations is found in lymphocytes taken from the pharmaceutical industry employees exposed to sulfamethoxazole [63] . These chromosomal abnormalities were observed also in an in vitro assay in human lymphocytes at high doses [64] .…”