keyword
MENU ▼
Read by QxMD icon Read
search

Ligands and binding

keyword
https://www.readbyqxmd.com/read/28231533/synthesis-characterization-and-dna-binding-cleavage-protein-binding-and-cytotoxicity-studies-of-co-ii-ni-ii-cu-ii-and-zn-ii-complexes-of-aminonaphthoquinone
#1
A Kosiha, C Parthiban, Kuppanagounder P Elango
The Co(II), Ni(II), Cu(II) and Zn(II) complexes of an aminonaphthoquinone ligand (L) have been prepared and characterized using analytical and spectral techniques. The structures of L and its Zn(II) complex are confirmed by single crystal X-ray diffraction study. The results indicate that Co(II), Ni(II) and Zn(II) complexes possess tetrahedral geometry while Cu(II) complex exhibits square planar structure. The interaction of L and its complexes with CT-DNA reveal that they could interact with CT-DNA through intercalation...
February 16, 2017: Journal of Photochemistry and Photobiology. B, Biology
https://www.readbyqxmd.com/read/28231499/surfactant-cobalt-iii-complexes-the-impact-of-hydrophobicity-on-interaction-with-hsa-and-dna-insights-from-experimental-and-theoretical-approach
#2
Selvakumar Veeralakshmi, Gopal Sabapathi, Selvan Nehru, Ponnambalam Venuvanalingam, Sankaralingam Arunachalam
To develop surfactant-based metallodrugs, it is very important to know about their hydrophobicity, micelle forming capacity, their interaction with biomacromolecules such as proteins and nucleic acids, and biological activities. Here, diethylenetriamine (dien) and tetradecylamine ligand (TA) based surfactant-cobalt(III) complexes with single chain domain, [Co(dien)(TA)Cl2]ClO4 (1) and double chain domain [Co(dien)(TA)2Cl](ClO4)2 (2) were chosen to study the effect of hydrophobicity on the interaction with human serum albumin and calf thymus DNA...
February 16, 2017: Colloids and Surfaces. B, Biointerfaces
https://www.readbyqxmd.com/read/28231454/zinc-complexes-of-diflunisal-synthesis-characterization-structure-antioxidant-activity-and-in-vitro-and-in-silico-study-of-the-interaction-with-dna-and-albumins
#3
Alketa Tarushi, Chrisoula Kakoulidou, Catherine P Raptopoulou, Vassilis Psycharis, Dimitris P Kessissoglou, Ioanna Zoi, Athanasios N Papadopoulos, George Psomas
From the reaction of ZnCl2 with the non-steroidal anti-inflammatory drug diflunisal (Hdifl), complex [Zn(difl-O)2(MeOH)4], 1 was formed, while in the presence of a N,N'-donor heterocyclic ligand 2,2'-bipyridylamine (bipyam), 2,2'-bipyridine (bipy), 1,10-phenanthroline (phen) and 2,2'-dipyridylketone oxime (Hpko), the complexes [Zn(difl-O,O')2(bipyam)], 2, [Zn(difl-O,O')2(bipy)], 3, [Zn(difl-O,O')2(phen)], 4 and [Zn(difl-O)2(Hpko)2], 5 were isolated, respectively. The complexes were characterized by physicochemical and spectroscopic techniques and the crystal structures of complexes 2, 3 and 5 were determined by X-ray crystallography...
February 12, 2017: Journal of Inorganic Biochemistry
https://www.readbyqxmd.com/read/28231415/encapsulating-an-immunosuppressant-enhances-tolerance-induction-by-siglec-engaging-tolerogenic-liposomes
#4
Lijuan Pang, Matthew S Macauley, Britni M Arlian, Corwin M Nycholat, James C Paulson
Unwanted antibody responses significantly impact human health, and current options for treating deleterious antibody responses largely rely on broad immunosuppressants that can compromise overall immunity. A desirable alternative is to induce antigen-specific immune tolerance. We have shown that co-presentation of antigen and ligands of B cell Siglecs (sialic acid-binding immunoglobulin-like lectin) on a liposomal nanoparticle induces antigen-specific tolerance. Although Siglec-engaging tolerance-inducing antigenic liposomes (STALs) induce robust B cell tolerance in naïve mice, the full potential of STALs requires long-term tolerance induction and suppression of an ongoing immune response...
February 23, 2017: Chembiochem: a European Journal of Chemical Biology
https://www.readbyqxmd.com/read/28230370/coarse-grained-prediction-of-peptide-binding-to-g-protein-coupled-receptors
#5
Bartholomé Delort, Pedro Renault, Landry Charlier, Florent Raussin, Jean Martinez, Nicolas Floquet
In this study, we used the Martini Coarse-Grained model with no applied restraints to predict the binding mode of some peptides to G-Protein Coupled Receptors (GPCRs). Both the Neurotensin-1 and the chemokine CXCR4 receptors were used as test cases. Their ligands, NTS8-13 and CVX15 peptides, respectively, were initially positioned in the surrounding water box. Using a protocol based on Replica Exchange Molecular Dynamics (REMD), both opening of the receptors and entry of the peptides into their dedicated pockets were observed on the μs time-scale...
February 23, 2017: Journal of Chemical Information and Modeling
https://www.readbyqxmd.com/read/28230359/efficient-liver-targeting-by-polyvalent-display-of-a-compact-ligand-for-the-asialoglycoprotein-receptor
#6
Carlos A Sanhueza, Michael M Baksh, Benjamin Thuma, Marc D Roy, Sanjay Dutta, Cathy Préville, Boris A Chrunyk, Kevin Beaumont, Robert Dullea, Mark Ammirati, Shenping Liu, David Gebhard, James E Finley, Christopher T Salatto, Amanda King-Ahmad, Ingrid Stock, Karen Atkinson, Benjamin Reidich, Wen Lin, Rajesh Kumar, Meihua Tu, Elnaz Menhaji-Klotz, David A Price, Spiros Liras, M G Finn, Vincent Mascitti
A compact and stable bicyclic bridged ketal was developed as a ligand for the asialoglycoprotein receptor (ASGPR). This compound showed excellent ligand efficiency, and the molecular details of binding were revealed by the first X-ray crystal structures of ligand-bound ASGPR. This analogue was used to make potent di- and trivalent binders of ASGPR. Extensive characterization of the function of these compounds showed rapid ASGPR-dependent cellular uptake in vitro and high levels of liver/plasma selectivity in vivo...
February 23, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28230310/hydroxy-directed-ruthenium-catalyzed-alkene-alkyne-coupling-increased-scope-stereochemical-implications-and-mechanistic-rationale
#7
Stephan M Rummelt, Gui-Juan Cheng, Puneet Gupta, Walter Thiel, Alois Fürstner
The recognition of the dual binding mode of propargyl and allyl alcohols to [Cp*Ru] fragments fostered the development of a highly regioselective intermolecular Alder-ene-type reaction of alkynes with 1,2-disubstituted alkenes. The increased substrate scope opens new perspectives in stereochemical terms. As the loaded catalyst is chiral-at-metal, stereochemical information is efficiently relayed from the propargylic site to the emerging C-C bond. This interpretation is based on the X-ray structure of the first Cp*Ru complex carrying an intact enyne ligand, and provides valuable insights into bonding and activation of the substrates...
February 23, 2017: Angewandte Chemie
https://www.readbyqxmd.com/read/28229338/investigation-of-the-encapsulation-of-metal-cations-cu-2-zn-2-ca-2-and-ba-2-by-the-dipeptide-phe-phe-using-natural-bond-orbital-theory-and-molecular-dynamics-simulation
#8
Snehasis Bhunia, Ajeet Singh, Animesh K Ojha
Complexes of the dipeptide phenylalanine-phenylalanine (Phe-Phe) with divalent metal cations (Cu(2+), Zn(2+), Ca(2+) and Ba(2+)) were studied at the B3LYP and MP2 levels of theory with the basis sets 6-311++G(d,p) and 6-31 + G(d) in the gas phase. The relative energies of these complexes indicated that cation-π bidentate/tridentate conformations are more favourable than other conformations with uncoordinated rings. These findings were confirmed by the calculated values of thermodynamic parameters such as the Gibbs free energy...
March 2017: Journal of Molecular Modeling
https://www.readbyqxmd.com/read/28229334/specific-amyloid-binding-of-polybasic-peptides-in-vivo-is-retained-by-%C3%AE-sheet-conformers-but-lost-in-the-disrupted-coil-and-all-d-amino-acid-variants
#9
Jonathan S Wall, Angela Williams, Tina Richey, Alan Stuckey, Craig Wooliver, J Christopher Scott, Robert Donnell, Emily B Martin, Stephen J Kennel
PURPOSE: The heparin-reactive, helical peptide p5 is an effective amyloid imaging agent in mice with systemic amyloidosis. Analogs of p5 with modified secondary structure characteristics exhibited altered binding to heparin, synthetic amyloid fibrils, and amyloid extracts in vitro. Herein, we further study the effects of peptide helicity and chirality on specific amyloid binding using a mouse model of systemic inflammation-associated (AA) amyloidosis. PROCEDURES: Peptides with disrupted helical structure [p5(coil) and p5(Pro3)], with an extended sheet conformation [p5(sheet)] or an all-D enantiomer [p5(D)], were chemically synthesized, radioiodinated, and their biodistribution studied in WT mice as well as transgenic animals with severe systemic AA amyloidosis...
February 22, 2017: Molecular Imaging and Biology: MIB: the Official Publication of the Academy of Molecular Imaging
https://www.readbyqxmd.com/read/28228861/interactions-between-photoacidic-3-hydroxynaphtho-1-2-b-quinolizinium-and-cucurbit-7-uril-influence-on-acidity-in-the-ground-and-excited-state
#10
Jonas Becher, Daria V Berdnikova, Darinka Dzubiel, Heiko Ihmels, Phil M Pithan
3-Hydroxynaphtho[1,2-b]quinolizinium was synthesized by cyclodehydration route and its optical properties in different media were investigated. The absorption and emission spectra of this compound depend on the pH of the solution. Thus, at higher pH values the deprotonation yields a merocyanine-type dye that exhibits significantly red-shifted absorption bands and causes a dual emisson, i.e., a combination of emission bands of the hydroxyquinolizinium and its deprotonated form. Whereas this compound is a weak acid in the ground state (pKa = 7...
2017: Beilstein Journal of Organic Chemistry
https://www.readbyqxmd.com/read/28228479/unraveling-the-structural-basis-of-grazoprevir-potency-against-clinically-relevant-substitutions-in-hepatitis-c-virus-ns3-4a-protease-from-genotype-1a
#11
Zhuyan Guo, Stuart Black, Yuan Hu, Patricia McMonagle, Paul Ingravallo, Robert Chase, Stephanie Curry, Ernest Asante-Appiah
Grazoprevir is a potent pan-genotype, macrocyclic inhibitor of hepatitis C virus (HCV) NS3/4A protease and was developed for treating chronic HCV infection. In HCV genotype (GT) 1a, grazoprevir maintains potent activity against a majority of NS3 resistance-associated amino acid substitutions including the highly prevalent and naturally-occurring Q80K polymorphism that impacts simeprevir, another NS3/4A protease inhibitor. The basis for an unexpected difference in the clinical impact of some NS3 substitutions was investigated...
February 21, 2017: Journal of Biological Chemistry
https://www.readbyqxmd.com/read/28228011/spectroscopic-definition-of-the-cuz-o-intermediate-in-turnover-of-nitrous-oxide-reductase-and-molecular-insight-into-the-catalytic-mechanism
#12
Esther M Johnston, Cíntia Carreira, Simone Dell'Acqua, Somdatta Ghosh Dey, Sofia R Pauleta, Isabel Moura, Edward I Solomon
Spectroscopic methods and density functional theory (DFT) calculations are used to determine the geometric and electronic structure of CuZ(o), an intermediate form of the Cu4S active site of nitrous oxide reductase (N2OR) that is observed in single turnover of fully reduced N2OR with N2O. Electron paramagnetic resonance (EPR), absorption, and magnetic circular dichroism (MCD) spectroscopies show that CuZ(o) is a 1-hole (i.e. 3Cu(I)Cu(II)) state with spin density delocalized evenly over CuI and CuIV. Resonance Raman spectroscopy shows two Cu-S vibrations at 425 and 413 cm(-1), the latter with a -3 cm(-1) O(18) solvent isotope shift...
February 22, 2017: Journal of the American Chemical Society
https://www.readbyqxmd.com/read/28226242/p-falciparum-ligand-binding-to-erythrocytes-induce-alterations-in-deformability-essential-for-invasion
#13
Xavier Sisquella, Thomas Nebl, Jennifer K Thompson, Lachlan Whitehead, Brian M Malpede, Nichole D Salinas, Kelly Rogers, Niraj H Tolia, Andrea Fleig, Joseph O'Neill, Wai-Hong Tham, F David Horgen, Alan F Cowman
The most lethal form of malaria in humans is caused by Plasmodium falciparum. These parasites invade erythrocytes, a complex process involving multiple ligand-receptor interactions. The parasite makes initial contact with the erythrocyte followed by dramatic deformations linked to the function of the Erythrocyte binding antigen family and P. falciparum reticulocyte binding-like families. We show EBA-175 mediates substantial changes in deformability of erythrocytes by binding to glycophorin A and activating a phosphorylation cascade that includes erythrocyte cytoskeletal proteins resulting in changes in the viscoelastic properties of the host cell...
February 22, 2017: ELife
https://www.readbyqxmd.com/read/28226203/characteristic-changes-in-decidual-gene-expression-signature-in-spontaneous-term-parturition
#14
Haidy El-Azzamy, Andrea Balogh, Roberto Romero, Yi Xu, Christopher LaJeunesse, Olesya Plazyo, Zhonghui Xu, Theodore G Price, Zhong Dong, Adi L Tarca, Zoltan Papp, Sonia S Hassan, Tinnakorn Chaiworapongsa, Chong Jai Kim, Nardhy Gomez-Lopez, Nandor Gabor Than
Background: The decidua has been implicated in the "terminal pathway" of human term parturition, which is characterized by the activation of pro-inflammatory pathways in gestational tissues. However, the transcriptomic changes in the decidua leading to terminal pathway activation have not been systematically explored. This study aimed to compare the decidual expression of developmental signaling and inflammation-related genes before and after spontaneous term labor in order to reveal their involvement in this process...
February 22, 2017: Journal of Pathology and Translational Medicine
https://www.readbyqxmd.com/read/28225833/influence-of-hla-class-i-hla-class-ii-and-kirs-on-vertical-transmission-and-chronicity-of-hepatitis-c-virus-in-children
#15
A Ruiz-Extremera, E J Pavón-Castillero, M Florido, P Muñoz de Rueda, J A Muñoz-Gámez, J Casado, A Carazo, R Quiles, S M Jiménez-Ruiz, A Gila, J D Luna, J León, J Salmerón
BACKGROUND & AIM: There is evidence that maternal viral load of HCV during delivery influences the risk for Mother-to-child transmission (MTCT), but this does not explain all cases. We study the role of the immunogenetic profile (HLA, KIRs and KIR-ligand binding) of mothers and children in HCV-MTCT and in chronicity in the children. METHODOLOGY: 79 HCV-RNA (+) mothers and their 98 children were included. 24 children were infected, becoming chronic in 8 cases and clearing in 16...
2017: PloS One
https://www.readbyqxmd.com/read/28225607/reactivity-study-of-unsymmetrical-%C3%AE-diketiminato-copper-i-complexes-effect-of-the-chelating-ring
#16
Wan-Jung Chuang, Sung-Po Hsu, Kuldeep Chand, Fu-Lun Yu, Cheng-Long Tsai, Yu-Hsuan Tseng, Yuh-Hsiu Lu, Jen-Yu Kuo, James R Carey, Hsuan-Ying Chen, Hsing-Yin Chen, Michael Y Chiang, Sodio C N Hsu
β-Diketiminato copper(I) complexes play important roles in bioinspired catalytic chemistry and in applications to the materials industry. However, it has been observed that these complexes are very susceptible to disproportionation. Coordinating solvents or Lewis bases are typically used to prevent disproportionation and to block the coordination sites of the copper(I) center from further decomposition. Here, we incorporate this coordination protection directly into the molecule in order to increase the stability and reactivity of these complexes and to discover new copper(I) binding motifs...
February 22, 2017: Inorganic Chemistry
https://www.readbyqxmd.com/read/28225259/one-step-ligand-immobilization-and-single-sample-injection-for-regeneration-free-surface-plasmon-resonance-measurements-of-biomolecular-interactions
#17
Xiaoying Wang, Zhiqiang Li, Nguyen Ly, Feimeng Zhou
Surface plasmon resonance (SPR) has been well established as a method of choice for label-free kinetic measurements of biomolecular interactions. The conventional approach involves multiple injections of an analyte of different concentrations into a fluidic channel covered with a fixed ligand density. Optimization of the experimental conditions and assessment of the data quality can be complicated by issues such as disruption of the ligand structure by the regeneration step and limited availability of the sample solution...
February 22, 2017: Analytical Chemistry
https://www.readbyqxmd.com/read/28225184/bis-picolinamide-ruthenium-iii-dihalide-complexes-dichloride-to-diiodide-exchange-generates-single-trans-isomers-with-high-potency-and-cancer-cell-selectivity
#18
Aida M Basri, Rianne M Lord, Simon J Allison, Andrea Rodríguez-Bárzano, Stephanie J Lucas, Felix D Janeway, Helena J Shepherd, Christopher M Pask, Roger M Phillips, Patrick Columba McGowan
A library of new bis-picolinamide ruthenium(III) dihalide complexes of the type RuX2L2 (X = Cl or I and L = picolinamide) have been synthesized and characterized. They exhibit different picolinamide ligand binding modes, whereby one ligand is bound (N,N) and the other bound (N,O). Structural studies reveal a mixture of cis and trans isomers for the RuCl2L2 complexes but upon a halide exchange reaction to RuI2L2, only single trans isomers are present. High cytotoxic activity against human cancer cell lines was observed, with potencies for some complexes similar to or better than cisplatin...
February 22, 2017: Chemistry: a European Journal
https://www.readbyqxmd.com/read/28225108/an-integrated-perspective-on-rna-aptamer-ligand-recognition-models-clearing-muddy-waters
#19
K McCluskey, J Carlos Penedo
Riboswitches are short RNA motifs that sensitively and selectively bind cognate ligands to modulate gene expression. Like protein receptor-ligand pairs, their binding dynamics are traditionally categorized as following one of two paradigmatic mechanisms: conformational selection and induced fit. In conformational selection, ligand binding stabilizes a particular state already present in the receptor's dynamic ensemble. In induced fit, ligand-receptor interactions enable the system to overcome the energetic barrier into a previously inaccessible state...
February 22, 2017: Physical Chemistry Chemical Physics: PCCP
https://www.readbyqxmd.com/read/28224267/selection-of-dna-aptamers-for-extra-cellular-domain-of-human-epidermal-growth-factor-receptor-2-to-detect-her2-positive-carcinomas
#20
A Sett, B B Borthakur, U Bora
BACKGROUND: Human epidermal growth factor receptor 2 (Her2, an orphan receptor of ErbB family) is considered as an important biomarker as it plays a key role in the development and progression of aggressive types of breast, ovarian, stomach and gastric cancer. In the present study, we developed novel DNA aptamers against the extra-cellular domain (ECD) of Her2 protein for detection of Her2-positive carcinomas. METHODS: We cloned and expressed Her2-ECD protein in E...
February 21, 2017: Clinical & Translational Oncology
keyword
keyword
32908
1
2
Fetch more papers »
Fetching more papers... Fetching...
Read by QxMD. Sign in or create an account to discover new knowledge that matter to you.
Remove bar
Read by QxMD icon Read
×

Search Tips

Use Boolean operators: AND/OR

diabetic AND foot
diabetes OR diabetic

Exclude a word using the 'minus' sign

Virchow -triad

Use Parentheses

water AND (cup OR glass)

Add an asterisk (*) at end of a word to include word stems

Neuro* will search for Neurology, Neuroscientist, Neurological, and so on

Use quotes to search for an exact phrase

"primary prevention of cancer"
(heart or cardiac or cardio*) AND arrest -"American Heart Association"