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The six new copper(II) coordination compounds [Cu(HL1)Cl2] (1), [Cu(HL1)Br2] (2), [Cu(H2O)(L1)(CH3COO)]·1.75H2O (3), [Cu(HL2)Cl2] (4), [Cu(HL2)Br2] (5), [Cu(H2O)(L2)(CH3COO)] (6) were synthesized with 2-formyl- and 2-acetylpyridine N4,S-diallylisothiosemicarbazones (HL1 and HL2). The new isothiosemicarbazones were characterized by NMR, FTIR spectroscopy, and X-ray crystallography ([H2L2]I). All copper(II) coordination compounds were characterized by elemental analysis, FTIR spectroscopy, and molar conductivity of their 1mM methanol solutions. Furthermore, the crystal structure of complex 3 was determined using single-crystal X-ray diffraction analysis. The studied complexes manifest antibacterial and antifungal activities, that in many cases are close to the activity of medical drugs used in this area, and in some cases even exceed them. The complexes 4 and 5 showed the highest indexes of selectivity (280 and 154) and high antiproliferative activity against BxPC-3 cell lines that surpass the activity of Doxorubicin. The complexes 1–3 also manifest antioxidant activities against cation radicals ABTS•+ that are close to that of trolox, the antioxidant agent used in medicine. [ABSTRACT FROM AUTHOR]

New zinc(II), copper(II), nickel(II), iron(III), and cobalt(III) coordination compounds, [Zn(HL)I2] (1), [Cu(HL)Cl2] (2), [Cu(HL)Br2] (3), {[Cu(HL)NO3]NO3}n (4), [Ni(HL)2](NO3)2 (5), [Fe(L)2]NO3(6), [Co(L)2]NO3 (7), and [Co(L)2]Cl·H2O (8), were obtained with 2‐acetylpyridine N4‐allyl‐S‐methylisothiosemicarbazone (HL). The isothiosemicarbazone proligand was characterized by nuclear magnetic resonance (NMR) (1H and 13C), infrared (IR) spectroscopy, and X‐ray diffraction. All the coordination compounds were characterized by elemental analysis, IR, UV–Vis spectroscopy, molar conductivity, and magnetic susceptibility measurements. Single‐crystal X‐ray diffraction analysis elucidated the structure of the cationic form of the proligand in the salt [H2L]I and compounds 1–4 and 8 and demonstrated an unusual way of coordination through methylated sulfur atom in 1 and 3. Nevertheless, the electron paramagnetic resonance (EPR) and UV–Vis investigations showed that this way of coordination quickly changes upon dissolution of coordination compounds in dimethyl sulfoxide (DMSO). The antiproliferative properties of these compounds towards human cervical epithelial HeLa, human epithelial pancreatic adenocarcinoma BxPC‐3, human muscle rhabdomyosarcoma spindle, large multinucleated RD cancer cell lines, and normal kidney epithelial MDCK cell line have been investigated. Copper coordination compounds (2–4) show promising anticancer activity with high selectivity (selectivity index [SI] = 10–18) towards BxPC‐3 cell line. They also possess significant antibacterial and antifungal activity, which is useful for cancer treatment. [ABSTRACT FROM AUTHOR]

New zinc (II), copper (II), nickel (II) and cobalt (III) complexes, [Zn (HL)2]I2(1), [Cu (HL)Cl2] (2), [Cu (HL)Br2] (3), [Cu (HL)(H2O)2](ClO4)2(4), [Ni (HL)2]I2·H2O (5), [Co(L)2]Cl (6), [Co(L)2]NO3(7), [Co(L)2]I·[Co(L)2](I3) (8) were obtained with 2‐formylpyridine 4‐allyl‐S‐methylisothiosemicarbazone (HL). The isothiosemicarbazone ligand was characterized by NMR (1H and 13C), IR spectroscopy and X‐ray diffraction. All the complexes were characterized by elemental analysis, IR, UV–Vis, ESI‐MS spectroscopy, molar conductivity, magnetic susceptibility measurements. X‐ray diffraction analysis on the monocrystal and powder elucidated the structure of the complexes 1, 5, 7 and 8. The ligand and the complexes were tested for their antioxidant and antimicrobial activity against Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae and Candida albicans. Also, the antiproliferative properties of these compounds on human leukemia HL‐60, human cervical epithelial HeLa, human epithelial pancreatic adenocarcinoma BxPC‐3, human muscle rhabdomyosarcoma spindle, large multinucleated RD cells and normal MDCK cells have been investigated. The nickel complex 5 and cobalt complexes 6, 7 showed promising antiproliferative activity and low toxicity. [ABSTRACT FROM AUTHOR]