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Electronic Structures, dna-binding, SAR, and Spectral Properties of Ruthenium Methylimidazole Complexes [Ru（MeIm）4L]^2＋（L=iip,tip,2ntz）

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Chinese Journal of Chemical Physics 2014年第2期27卷 159-167,I0003页

作者：李国栋陈兰美王忻宇巫玲凤揭新明陈锦灿广东医学院药学院湛江524023 广东医学院第一临床医学院湛江524023 广东医学院分析中心湛江524023

Theoretical studies on the electronic and geometric structures, the trend in dna-binding affinities as well as the the structure-activity relationship （SAR） of a series of water-soluble Ru（II） methylimidazole complexes, i.e. [Ru（Mehn）4iip]^2＋（1）（MeIm=l-methylimidazole, iip=2-（1H-imidazo-4-group）-lH-imidazo[n,5-f][1,10]phenanthroline）, [Ru（MeIm）4tip]^2＋（2）（tip=2-（thiophene-2-group）-lH-imidazo[4,5-f] [i,10]phenanthroline）, and [Ru（Melm）42ntz]^2＋（3）（2ntz=2-（2-nitro-l,3-thiazole-5-group）-lH-imidazo[4,5-f][1,10]phenanthroline）, were car- ried out using the density functional theory （DFT）. The electronic structures of these Ru（II） complexes were analyzed on the basis of their geometric structures optimized in aqueous solution, and the trend in the dna-binding constants （Kb） was reasonably explained. The results show that the replacement of imidazole ligand by thiophene ligand can effectively improve the dna-binding affinity of the complex. Meanwhile, it was found that introduc- ing the stronger electronegative N atom and NO2 group on terminal loop of intercalative ligand can obviously reduce the complex＇s LUMO and HOMO-LUMO gap energies. Based on these findings, the designed complex [Ru（MeIm）42ntz]^2＋（3） can be expected to have the greatest Kb value in complexes 1-3. In addition, the structure-activity relationships and antitumor mechanism were also carefully discussed, and the antimetastatic activity of the designed complex 3 was predicted. Finally, the electronic absorption spectra of this series of complexes in aqueous solution were calculated, simulated and assigned using DFT/TDDFT methods as well as conductor-like polarizable continuum model （CPCM）, and were in good agreement with the experimental results.

关键词： Ruthenium methylimidazole complex dna-binding Structure-activity rela- tionships Spectral property DFT calculation

Synthesis, Crystal Structure, Luminescent Property and dna-binding of a Cadmium Complex with 2,4-Bis-oxyacetate-benzoic Acid

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Chinese Journal of Structural Chemistry 2015年第7期34卷 1080-1086页

作者：郭航鸣沈伟陈小菊赵国良 Jinhua Radio and Television University College of Chemistry and Life Science Zhejiang Normal University Xingzhi College Zhejiang Normal University

A complex [Cd2Na2（BOABA）2（H2O）8]·H2O（1） was synthesized by using 2,4-bisoxyacetate-benzoic acid（H3BOABA） and Cd（OH）2. It was characterized by elemental analysis, IR spectra, and single-crystal X-ray diffraction. Complex 1 shows a two-dimensional 3-connected rigid plane. The interactions between the ligand and its complex with dna were studied by Et Br fluorescence probe. Photoluminescent studies indicate that the complex may be excellent candidates for potential photoactive materials.

关键词： Cd complex 2 4-bis-oxyacetate-benzoic acid crystal structure dna-binding photoluminescence

Synthesis, Crystal Structure and dna-binding Property of Bismuth(Ⅲ) Complex with p-Hydroxy-phenylacetic Acid

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Chinese Journal of Structural Chemistry 2013年第4期32卷 509-514页

作者：陈小菊胡未极秦毅赵国良 College of Chemistry and Life Science Zhejiang Normal University Xingzhi College Zhejiang Normal University

A bismuth（Ⅲ） complex 1 （H2-4,4＇-bipy）[Bi（HPPA）5]（H2PPA）.4H2O （H2PPA = p- hydroxy- phenylacetic acid, 4,4＇-bipy = 4,4＂-bipyridyl） was hydrothermally synthesized from p-hydroxy-phenylacetic acid （H2PPA）, Bi（NO3）3＂6H20 and 4,4＇-bipyridyl, and characterized by elemental analysis, IR, molar conductivity and TG. The single-crystal X-ray diffraction studies demonstrated that the complex is of monoclinic system, space group P21 with a = 10.928（7）, b = 22.558（7）, c = 11.313（7） A, β = 91.864（4）°, V = 2787.7（4） A3, Z = 2, C58H61BiN2O22, Mr = 1347.07, F（000） = 1364, Dc= 1.605 g/cm-3, p（MoKa） = 3.247 mm-1, the final R = 0.0269 and wR = 0.0540 for 9776 observed reflections with I 〉 2or（I）. The bismuth（I/I） is seven-coordinated with O atoms, forming a monocapped octahedral geometry. Complex 1 further forms a 3D supramolecular architecture by hydrogen bonds and π-π stacking interactions. Moreover, the interaction between the complex and dna was studied by EtBr fluoescent probe.

关键词： bismuth(Ⅲ) complex p-hydroxy-phenylaeetie acid 4,4"-bipyridyl crystal structure dna-binding

Synthesis,Characterization　and　dna-binding　Studies　of　Nickel(Ⅱ)　Mixed-Polypyridyl　Complex

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Chemical Research in Chinese Universities 1998年第1期14卷 12-16页

Ｓｙｎｔｈｅｓｉｓ，ＣｈａｒａｃｔｅｒｉｚａｔｉｏｎａｎｄＤＮＡ－ＢｉｎｄｉｎｇＳｔｕｄｉｅｓｏｆＮｉｃｋｅｌ（Ⅱ）Ｍｉｘｅｄ－ＰｏｌｙｐｙｒｉｄｙｌＣｏｍｐｌｅｘＪＩＮＬａｎ，ＹＡＮＧＰｉｎ（ａＳｔａｔｅＫｅｙＬａ... 详细信息

Ｓｙｎｔｈｅｓｉｓ，ＣｈａｒａｃｔｅｒｉｚａｔｉｏｎａｎｄＤＮＡ－ＢｉｎｄｉｎｇＳｔｕｄｉｅｓｏｆＮｉｃｋｅｌ（Ⅱ）Ｍｉｘｅｄ－ＰｏｌｙｐｙｒｉｄｙｌＣｏｍｐｌｅｘＪＩＮＬａｎ，ＹＡＮＧＰｉｎ（ａＳｔａｔｅＫｅｙＬａｂｏｒａｔｏｒｙｏｆＣｏｏｒｄｉｎ...

关键词： dna-binding and Synthesis,Characterization Nickel Studies Complex Mixed-Polypyridyl

Photocleavage Properties and dna-binding Studies of Oxovanadium Complexes Incorporating 2-(2-Hydroxybenzylideneamino) Isoindoline-1,3-Dione and Fluoro-Phenanthroline Derivatives

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Open Journal of Inorganic Chemistry 2014年第4期4卷 51-63页

作者： Peng Ying Pengfei Zeng Jiazheng Lu Ning Yang Hongyuan Chen School of Pharmacy Guangdong Pharmaceutical University Guangzhou China Department of Clinical Pathology the First Affiliated Hospital Guangdong Pharmaceutical University Guangzhou China Department of Pathogen Biology and Immunology School of Basic Course Guangdong Pharmaceutical University Guangzhou China

Three mononuclear oxovanadium complexes [VO(Hbid)(CF3PIP)] (1) (Hbid=(E)-2-(2-hydroxybenzylideneamino) isoindoline-1,3-dione, CF3PIP=2-(2-trifluoromethyl phenyl)imidazole[4,5-f][1,10] phenanthroline), [VO(Hbid)(m-CF3PIP)];(2) (m-CF3PIP=2-(3-trifluoromethyl phenyl)imidazole [4, 5-f][1,10]phenanthroline) and [VO(Hbid)(p-CF3PIP)];(3) (p-CF3PIP=2-(4-trifluoromethyl phenyl) imidazole[4,5-f][1,10]phenanthroline) have been synthesized and characterized by elemental analysis, IR, molar conductance, ES-MS and 1H NMR. The dna-binding properties of these complexes were studied by using UV-Vis absorption titration, fluorescence spectra, viscosity measurements and thermal denaturation studies. The results show that 1, 2 and 3 interact with calf thymus dna (CT-dna) by intercalation modes and the magnitude of their intrinsic binding constants (Kb values) follows the order: 2 dna were investigated by agarose gel electrophoresis experiments. The dna cleavage capacity of complex 3 is also stronger than that of 1 and 2.

关键词： Oxovanadium Complexes Synthesis dna-binding Photocleavage

Role of the PEST sequence in the long-type GATA-6 dna-binding protein expressed in human cancer cell lines

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Advances in Bioscience and Biotechnology 2012年第4期3卷 314-320页

作者： Kanako Obayashi Kayoko Takada Kazuaki Ohashi Ayako Kobayashi-Ohashi Masatomo Maeda Department of Immunobiology School of Pharmacy Iwate Medical University Shiwa-Gun Japan Department of Molecular Biology School of Pharmacy Iwate Medical University Shiwa-Gun Japan Departments of Medical Biochemistry School of Pharmacy Iwate Medical University Shiwa-Gun Japan Laboratory of Biochemistry and Molecular Biology Graduate School of Pharmaceutical Sciences Osaka University Suita Japan

GATA-6 mRNA utilizes two Met-codons in frame as translational initiation codons in cultured mammalian cells. Deletion of the nucleotide sequence encoding the PEST sequence between the two initiation codons unusually reduced the protein molecular size on SDS-polyacrylamide gel-electrophoresis. The reduced molecular size is ascribed to the molecular property of GATA-6, since both amino-and carboxy-lterminal tags introduced into GATA-6 were detected on the gel. This PEST sequence seems to contribute to expansion of the long-type GATA-6 molecule. The long-type GATA-6 containing the PEST sequence exhibits more activation potential than that without this sequence, the latter’s activity being similar to that of the short-type GATA-6. We further demonstrated that human colon and lung cancer cell lines express both the long-type GATA-6 and the short-type GATA-6 in their nuclei.

关键词： dna-binding Protein GATA-6 Transcription Factor Leaky Ribosome Scanning PEST Sequence Gel Electrophoresis

Synthesis, structure, dna binding and cleavage activity of a new copper(II) complex of bispyridylpyrrolide

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Journal of Central South University 2015年第5期22卷 1619-1625页

作者：闵睿胡晓惠易小艺张寿春 School of Chemistry and Chemical Engineering Central South University

A copper-bispyridylpyrrolide complex [Cu(PDPH)Cl](PDPH = 2,5-bis(2′-pyridyl)pyrrole) was synthesized and characterized. The complex crystallizes in the orthorhombic system with space group Pccn, a = 0.9016(3) nm, b = 1.0931(4) nm, c =2.5319(8) nm, and V = 2.4951(15) nm3. The copper center is situated in a square planar geometry. The interaction of the copper(II)complex with calf thymus dna(CT-dna) was investigated by electronic absorption, circular dichroism(CD) and fluorescence spectra. It is proposed that the complex binds to CT-dna through groove binding mode. Nuclease activity of the complex was also studied by gel electrophoresis method. The complex can efficiently cleave supercoiled p BR322 dna in the presence of ascorbate(H2A) via oxidative pathway. The preliminary mechanism of dna cleavage by the complex with different inhibiting reagents indicates that the hydroxyl radicals were involved as the active species in the dna cleavage process.

关键词： copper complex bispyridylpyrrolide dna-binding dna cleavage

Synthesis,antibacterial activity and dna-binding affinity of novel hybrid peptides from TAT(47–57) and BRCA1(782–786)

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Synthesis,antibacterial activity and DNA-binding affinity of...

DFT/TDDFT Study on dna-binding and Spectral Properties of Molecular“Light-Switch”Complex[Ru(phen)2(phehat)]2+

河南省化学会2018年学术年会

作者： Mingxiu Lv Mengwei Wang Kui Lu Lu Peng Yufen Zhao School of Material and Chemical Engineering Henan University of Engineering College of Chemistry and Molecular Engineering Zhengzhou University School of Chemical Engineering and Food Science Zhengzhou Institute of Technology

Breast cancer susceptibility gene(BRCA1) has been a focus of cancer research since its discovery in 1994[1]. Cancer patients are usually weaker and more susceptible to bacterial infection than normal people. In current medical practice, for cancer patients infected with bacteria, additional antibacterial drugs are needed when anti-cancer drugs are used. Transacting activator of transcription(TAT) protein was first recognized as a CPP in the human immunodeficiency virus type 1[2] and has been extensively used as delivery agents for various cargoes[3]. In the present study, Two hybrid peptides, SISLL-TAT and TAT-SISLL, were synthesized by modifying the N-or C-termini of cell-penetrating peptides as transacting activator of transcription TAT(47-57) by attaching BRCA1(782-786, SISLL). The hybrid peptides were synthesized through Fmoc solid-phase synthesis procedures and characterized by LCQ Fleet MS, 1 H NMR and 13 C NMR. SISLL-TAT and TAT-SISLL displayed forceful antibacterial activities against Staphylococcus aureus, Bacillus subtilis, Escherichia coli, and Salmonella typhimurium with low hemolysis. SISLL-TAT showed better antibacterial activity than TAT-SISLL, with the minimum inhibitory concentration(MIC) values of 10-33 μg·mL-1. We also found that the hybrid peptides SISLL-TAT and TAT-SISLL targeted bacterial dna resulting in cell death. This explains the antibacterial mechanism of SISLL-TAT and TAT-SISLL, and is a solid theoretical basis for further designing novel and highly effective antibiotics for clinical application.

关键词： TAT hybrid peptide solid-phase synthesis antibacterial activity dna-binding

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DFT/TDDFT Study on DNA-Binding and Spectral Properties of Mo...