PMID- 35599165 OWN - NLM STAT- MEDLINE DCOM- 20220608 LR - 20220920 IS - 1873-3344 (Electronic) IS - 0162-0134 (Linking) VI - 233 DP - 2022 Aug TI - Complexes of copper(II) with tetradentate S,O-ligands: Synthesis, characterization, DNA/albumin interactions, molecular docking simulations and antitumor activity. PG - 111861 LID - S0162-0134(22)00150-7 [pii] LID - 10.1016/j.jinorgbio.2022.111861 [doi] AB - Four new complexes of copper(II) with S,O-tetradentate ligands, derivatives of thiosalicylic acid, encompassing an ethylene-, propylene-, butylene- and pentylene- bridge, were synthesized and characterized by microanalysis, molecular conductance and infrared (IR) spectra. The structures were assumed based on the previously mentioned analyses and confirmed with the results of electron paramagnetic resonance (EPR) spectra. The reactivity of complexes towards L-methionine (L-Met), L-cysteine (L-Cys) and guanosine-5'-monophosphate (5'-GMP) was also examined. Complex C1 ([Cu(S,O-ethylene-thiosalicylic acid)(H(2)O)(2)]) containing two inert methylene groups in the side chain of ligand shows the highest reactivity, while the least reactive is complex C4 ([Cu(S,O-pentylene-thiosalicylic acid)(H(2)O)(2)]) with five methylene groups. All complexes showed the highest reactivity towards L-Met and the lowest reactivity towards 5'-GMP. The interactions of complexes C1-C4 with calf thymus DNA (ct-DNA) were examined by ultraviolet-visible (UV-Vis) absorption and fluorescence spectral studies, revealing good DNA interaction abilities. All synthesized complexes C1-C4 show to interact with human serum albumin (HSA) with high values of binding constants. Complexes interaction with DNA/HSA was also confirmed using molecular docking simulations. All synthesized complexes reduce viability of human colon, breast and lung cancer cells, evaluated by MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) colorimetric technique. The complex [Cu(S,O-pentylene- thiosalicylic acid)(H(2)O)(2)] showed the highest binding affinity constants to DNA/HSA and highest cytotoxicity, thus presenting a good candidate for further pharmacological research in the field of colon, breast and lung cancer therapy. CI - Copyright (c) 2022 Elsevier Inc. All rights reserved. FAU - Zivanovic, Ana S AU - Zivanovic AS AD - Department of Phamacy, Faculty of Medical Sciences, University of Kragujevac, Svetozara Markovica 69, 34000 Kragujevac, Serbia. FAU - Bukonjic, Andriana M AU - Bukonjic AM AD - Department of Phamacy, Faculty of Medical Sciences, University of Kragujevac, Svetozara Markovica 69, 34000 Kragujevac, Serbia. Electronic address: andriana.bukonjic@medf.kg.ac.rs. FAU - Jovanovic-Stevic, Snezana AU - Jovanovic-Stevic S AD - University of Kragujevac, Institute for Information Technologies, Department of Science, Jovana Cvijica bb, 34000 Kragujevac, Serbia. FAU - Bogojeski, Jovana AU - Bogojeski J AD - University of Kragujevac, Faculty of Science, R. Domanovica 12, P. O. Box 60, 34000 Kragujevac, Serbia. FAU - Cocic, Dusan AU - Cocic D AD - University of Kragujevac, Faculty of Science, R. Domanovica 12, P. O. Box 60, 34000 Kragujevac, Serbia. FAU - Bijelic, Ana Popovic AU - Bijelic AP AD - University of Belgrade - Faculty of Physical Chemistry, Studentski trg 12-16, 11158 Belgrade, Serbia. FAU - Ratkovic, Zoran R AU - Ratkovic ZR AD - University of Kragujevac, Faculty of Science, R. Domanovica 12, P. O. Box 60, 34000 Kragujevac, Serbia. FAU - Volarevic, Vladislav AU - Volarevic V AD - Department of Genetics, Faculty of Medical Sciences, University of Kragujevac, Svetozara Markovica 69, 34000 Kragujevac, Serbia; Department of Microbiology and Immunology, Faculty of Medical Sciences, University of Kragujevac, Svetozara Markovica 69, 34000 Kragujevac, Serbia. FAU - Miloradovic, Dragana AU - Miloradovic D AD - Department of Genetics, Faculty of Medical Sciences, University of Kragujevac, Svetozara Markovica 69, 34000 Kragujevac, Serbia. FAU - Tomovic, Dusan Lj AU - Tomovic DL AD - Department of Phamacy, Faculty of Medical Sciences, University of Kragujevac, Svetozara Markovica 69, 34000 Kragujevac, Serbia. FAU - Radic, Gordana P AU - Radic GP AD - Department of Phamacy, Faculty of Medical Sciences, University of Kragujevac, Svetozara Markovica 69, 34000 Kragujevac, Serbia. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20220513 PL - United States TA - J Inorg Biochem JT - Journal of inorganic biochemistry JID - 7905788 RN - 0 (Antineoplastic Agents) RN - 0 (Coordination Complexes) RN - 0 (Ethylenes) RN - 0 (Ligands) RN - 789U1901C5 (Copper) RN - 85-32-5 (Guanosine Monophosphate) RN - 9007-49-2 (DNA) RN - ZIF514RVZR (Serum Albumin, Human) SB - IM MH - *Antineoplastic Agents/chemistry/metabolism/pharmacology MH - *Coordination Complexes/chemistry/metabolism MH - Copper/chemistry/metabolism MH - DNA/chemistry/metabolism MH - Ethylenes/metabolism MH - Guanosine Monophosphate/metabolism MH - Humans MH - Ligands MH - Lung Neoplasms/drug therapy/metabolism MH - Molecular Docking Simulation MH - Neoplasms/drug therapy/metabolism MH - Serum Albumin, Human/chemistry OTO - NOTNLM OT - Biological activity OT - Copper(II)-complexes OT - Docking OT - Interactions OT - S,O-ligands EDAT- 2022/05/23 06:00 MHDA- 2022/06/09 06:00 CRDT- 2022/05/22 22:12 PHST- 2021/12/27 00:00 [received] PHST- 2022/05/02 00:00 [revised] PHST- 2022/05/08 00:00 [accepted] PHST- 2022/05/23 06:00 [pubmed] PHST- 2022/06/09 06:00 [medline] PHST- 2022/05/22 22:12 [entrez] AID - S0162-0134(22)00150-7 [pii] AID - 10.1016/j.jinorgbio.2022.111861 [doi] PST - ppublish SO - J Inorg Biochem. 2022 Aug;233:111861. doi: 10.1016/j.jinorgbio.2022.111861. Epub 2022 May 13.