PMID- 25796450 OWN - NLM STAT- MEDLINE DCOM- 20160204 LR - 20150518 IS - 1879-0003 (Electronic) IS - 0141-8130 (Linking) VI - 77 DP - 2015 TI - Interaction of three new tetradentates Schiff bases containing N2O2 donor atoms with calf thymus DNA. PG - 193-202 LID - S0141-8130(15)00167-1 [pii] LID - 10.1016/j.ijbiomac.2015.03.016 [doi] AB - Interaction of 1,3-bis(2-hydroxy-benzylidene)-urea (H2L1), 1,3-bis(2-hydroxy-3-methoxy-benzylidene)-urea (H2L2) and 1,3-bis(2-hydroxy-3-methoxy-benzylidene)-urea nickel(II) (NiL2) with calf-thymus DNA were investigated by UV-vis absorption, fluorescence emission and circular dichroism (CD) spectroscopy as well as cyclic voltammetry, viscosity measurements, molecular docking and molecular dynamics simulation. Binding constants were determined using UV-vis absorption and fluorescence spectra. The results indicated that studied Schiff-bases bind to DNA in the intercalative mode in which the metal derivative is more effective than non metals. Their interaction trend is further determined by molecular dynamics (MD) simulation. MD results showed that Ni derivative reduces oligonucleotide intermolecular hydrogen bond and increases solvent accessible surface area more than other compounds. CI - Copyright (c) 2015 Elsevier B.V. All rights reserved. FAU - Ajloo, Davood AU - Ajloo D AD - School of Chemistry, Damghan University, Damghan, Iran. Electronic address: ajloo@du.ac.ir. FAU - Shabanpanah, Sajede AU - Shabanpanah S AD - School of Chemistry, Damghan University, Damghan, Iran. FAU - Shafaatian, Bita AU - Shafaatian B AD - School of Chemistry, Damghan University, Damghan, Iran. FAU - Ghadamgahi, Maryam AU - Ghadamgahi M AD - School of Chemistry, Damghan University, Damghan, Iran. FAU - Alipour, Yasin AU - Alipour Y AD - School of Chemistry, Damghan University, Damghan, Iran. FAU - Lashgarbolouki, Taghi AU - Lashgarbolouki T AD - School of Biology, Damghan University, Damghan, Iran. FAU - Saboury, Ali Akbar AU - Saboury AA AD - Institute of Biochemistry and Biophysics, University of Tehran, Tehran, Iran. LA - eng PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20150319 PL - Netherlands TA - Int J Biol Macromol JT - International journal of biological macromolecules JID - 7909578 RN - 0 (Nitrogen Oxides) RN - 0 (Schiff Bases) RN - 9007-49-2 (DNA) RN - 91080-16-9 (calf thymus DNA) SB - IM MH - Animals MH - Cattle MH - DNA/chemistry/*metabolism MH - Electrochemistry MH - Molecular Docking Simulation MH - Molecular Dynamics Simulation MH - Nitrogen Oxides/*chemistry MH - Nucleic Acid Conformation MH - Schiff Bases/chemistry/metabolism MH - Temperature OTO - NOTNLM OT - Calf-thymus DNA OT - Schiff-base OT - Spectroscopy EDAT- 2015/03/23 06:00 MHDA- 2016/02/05 06:00 CRDT- 2015/03/23 06:00 PHST- 2014/11/27 00:00 [received] PHST- 2015/03/03 00:00 [revised] PHST- 2015/03/10 00:00 [accepted] PHST- 2015/03/23 06:00 [entrez] PHST- 2015/03/23 06:00 [pubmed] PHST- 2016/02/05 06:00 [medline] AID - S0141-8130(15)00167-1 [pii] AID - 10.1016/j.ijbiomac.2015.03.016 [doi] PST - ppublish SO - Int J Biol Macromol. 2015;77:193-202. doi: 10.1016/j.ijbiomac.2015.03.016. Epub 2015 Mar 19.