Published in J Med Chem on January 25, 2007
Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands. J Biol Chem (2007) 1.07
Extra binding region induced by non-zinc chelating inhibitors into the S1' subsite of matrix metalloproteinase 8 (MMP-8). J Med Chem (2009) 1.01
Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds. J Med Chem (2008) 0.95
N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: mode of binding in a complex with MMP-8. Bioorg Med Chem Lett (2005) 0.92
A tetranuclear 3d-4f single molecule magnet: [CuIILTbIII(hfac)2]2. J Am Chem Soc (2004) 0.88
Structural insight into the stereoselective inhibition of MMP-8 by enantiomeric sulfonamide phosphonates. J Med Chem (2006) 0.87
On the metabolically active form of metaglidasen: improved synthesis and investigation of its peculiar activity on peroxisome proliferator-activated receptors and skeletal muscles. ChemMedChem (2015) 0.86
Design, modelling, synthesis and biological evaluation of peptidomimetic phosphinates as inhibitors of matrix metalloproteinases MMP-2 and MMP-8. Bioorg Med Chem (2005) 0.85
Targeting aquaporin function: potent inhibition of aquaglyceroporin-3 by a gold-based compound. PLoS One (2012) 0.85
Dynamical aspects of TEM-1 beta-lactamase probed by molecular dynamics. J Comput Aided Mol Des (2005) 0.85
pH-Dependent Monomer <--> Oligomer Interconversion of Copper(II) Complexes with N-(2-R-imidazol-4-ylmethylidene)-2-aminoethylpyridine (R = Methyl, Phenyl). Inorg Chem (1999) 0.84
Rearrangement of N-aryl-2-vinylaziridines to benzoazepines and dihydropyrroles: a synthetic and theoretical study. Chemistry (2009) 0.83
Aquaporin inhibition by gold(III) compounds: new insights. ChemMedChem (2013) 0.83
AMBER force field implementation of the boronate function to simulate the inhibition of beta-lactamases by alkyl and aryl boronic acids. Eur J Med Chem (2005) 0.82
Synthesis and evaluation of new tripeptide phosphonate inhibitors of MMP-8 and MMP-2. Eur J Med Chem (2005) 0.82
Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptors α/γ dual agonists. Bioorg Med Chem (2012) 0.81
Peptide backbone folding induced by the C(alpha)-tetrasubstituted cyclic alpha-amino acids 4-amino-1,2-dithiolane-4-carboxylic acid (Adt) and 1-aminocyclopentane-1-carboxylic acid (Ac5c). A joint computational and experimental study. Org Biomol Chem (2003) 0.81
Rationalization of the inhibition activity of structurally related organometallic compounds against the drug target cathepsin B by DFT. Dalton Trans (2010) 0.81
Computational study of the catalytic domain of human neutrophil collagenase. specific role of the S3 and S'3 subsites in the interaction with a phosphonate inhibitor. J Comput Aided Mol Des (2002) 0.81
Metal complexes containing allenylidene and higher cumulenylidene ligands: a theoretical perspective. Acc Chem Res (2011) 0.80
Structural insight into peroxisome proliferator-activated receptor gamma binding of two ureidofibrate-like enantiomers by molecular dynamics, cofactor interaction analysis, and site-directed mutagenesis. J Med Chem (2010) 0.80
Predicting the outcome of artificial nutrition by clinical and functional indices. Nutrition (2008) 0.80
Calcium binding promotes prion protein fragment 90-231 conformational change toward a membrane destabilizing and cytotoxic structure. PLoS One (2012) 0.80
Atom-bond pairwise additive representation for halide-benzene potential energy surfaces: an ab initio validation study. J Phys Chem A (2009) 0.79
Molecular dynamics simulation of Leishmania major surface metalloprotease GP63 (leishmanolysin). Proteins (2006) 0.79
Photophysical properties of [Ru(phen)2(dppz)]2+ intercalated into DNA: an integrated Car-Parrinello and TDDFT study. J Am Chem Soc (2005) 0.79
Synthesis, biological evaluation, and docking studies of N-substituted acetamidines as selective inhibitors of inducible nitric oxide synthase. J Med Chem (2009) 0.79
Effect of nutritional status on clinical outcome in a population of geriatric rehabilitation patients. Aging Clin Exp Res (2004) 0.79
TiCl4-promoted condensation of methyl acetoacetate, isobutyraldehyde, and indole: a theoretical and experimental study. Phys Chem Chem Phys (2015) 0.78
1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationships. Bioorg Med Chem (2008) 0.78
Theoretical study of alkali cation-benzene complexes: potential energy surfaces and binding energies with improved results for rubidium and cesium. J Phys Chem A (2006) 0.78
N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase. Bioorg Med Chem Lett (2010) 0.78
High level theoretical study of benzene-halide adducts: the importance of C-H-anion hydrogen bonding. J Phys Chem A (2009) 0.78
Facile activation of dihydrogen by a phosphinito-bridged Pt(I)-Pt(I) complex. J Am Chem Soc (2010) 0.78
Binding of antitumor ruthenium complexes to DNA and proteins: a theoretical approach. J Phys Chem B (2007) 0.77
Peptides containing 4-amino-1,2-dithiolane-4-carboxylic acid (Adt): conformation of Boc-Adt-Adt-NHMe and NH...S interactions. J Pept Sci (2005) 0.77
Peptidyl 3-substituted 1-hydroxyureas as isosteric analogues of succinylhydroxamate MMP inhibitors. Eur J Med Chem (2007) 0.77
alpha-Biphenylsulfonylamino 2-methylpropyl phosphonates: enantioselective synthesis and selective inhibition of MMPs. Bioorg Med Chem (2006) 0.77
Hybrid alpha/beta3-peptides with proteinogenic side chains. Monosubstituted analogues of the chemotactic tripeptide For-Met-Leu-Phe-OMe. J Pept Sci (2004) 0.77
Design and biophysical characterization of atrazine-sensing peptides mimicking the Chlamydomonas reinhardtii plastoquinone binding niche. Phys Chem Chem Phys (2013) 0.77
Selective inhibition of iNOS by benzyl- and dibenzyl derivatives of N-(3-aminobenzyl)acetamidine. ChemMedChem (2011) 0.77
Serine O-sulfation probed by IRMPD spectroscopy. Phys Chem Chem Phys (2015) 0.77
Poly(ADP-ribose)-polymerase-catalyzed hydrolysis of NAD+: QM/MM simulation of the enzyme reaction. ChemMedChem (2006) 0.76
Conformational study of bovine lactoferricin in membrane-micking conditions by molecular dynamics simulation and circular dichroism. Biometals (2010) 0.76
Binding of GSH conjugates to π-GST: a cross-docking approach. J Mol Graph Model (2011) 0.76
New 2-aryloxy-3-phenyl-propanoic acids as peroxisome proliferator-activated receptors alpha/gamma dual agonists with improved potency and reduced adverse effects on skeletal muscle function. J Med Chem (2009) 0.76
LT175 is a novel PPARα/γ ligand with potent insulin-sensitizing effects and reduced adipogenic properties. J Biol Chem (2014) 0.75
Synthesis, structure, luminescence, and magnetic properties of a single-ion magnet "mer"-[tris(N-[(imidazol-4-yl)-methylidene]-DL-phenylalaninato)terbium(III) and related "fac"-DL-alaninato derivative. Inorg Chem (2014) 0.75
Nonradical mechanisms for the uncatalyzed thermal functionalization of silicon surfaces by alkenes and alkynes: a density functional study. Langmuir (2006) 0.75
Site selectivity in the protonation of a phosphinito bridged Pt(I)-Pt(I) complex: a combined NMR and density-functional theory mechanistic study. Inorg Chem (2008) 0.75
Synthesis, structures, and magnetic properties of face-sharing heterodinuclear Ni(II)-Ln(III) (Ln = Eu, Gd, Tb, Dy) complexes. Inorg Chem (2008) 0.75
Hydrido phosphanido bridged polynuclear complexes obtained by protonation of a phosphinito bridged Pt(I) complex with HBF4 and HF. Inorg Chem (2011) 0.75
Cisplatin and transplatin interaction with methionine: bonding motifs assayed by vibrational spectroscopy in the isolated ionic complexes. Phys Chem Chem Phys (2017) 0.75
Effect of ring size on the tautomerization and ionization reaction of cyclic 2-nitroalkanones: an experimental and theoretical study. J Org Chem (2012) 0.75
Overexpression system and biochemical profile of CTX-M-3 extended-spectrum beta-lactamase expressed in Escherichia coli. FEMS Microbiol Lett (2004) 0.75
Thrombin inhibition by the highly selective 'reversible suicide substrate' N-ethoxycarbonyl-D-phenylalanyl-L-prolyl-alpha-azalysine p-nitrophenyl ester. Protein Pept Lett (2005) 0.75
Photo-isomerisation of alkenyl complexes of platinum(II): structural, spectroscopic, kinetic and computational investigations. Dalton Trans (2013) 0.75
Crystal field splitting of the ground state of terbium(III) and dysprosium(III) complexes with a triimidazolyl tripod ligand and an acetate determined by magnetic analysis and luminescence. Inorg Chem (2014) 0.75
On the structural affinity of macromolecules with different biological properties: molecular dynamics simulations of a series of TEM-1 mutants. Biochem Biophys Res Commun (2013) 0.75
Ferro- and antiferromagnetic interactions in face-sharing trioctahedral Ni(II)Mn(II)Ni(II) and Ni(II)Fe(III)Ni(II) complexes with the same 1-5/2-1 spin system. Chem Commun (Camb) (2006) 0.75
Reactivity of a phosphinito-bridged PtI-PtI complex with nucleophiles: substitution versus addition. Inorg Chem (2008) 0.75
Magnetic interactions in CuII-LnIII cyclic tetranuclear complexes: is it possible to explain the occurrence of SMM behavior in CuII-TbIII and CuII-DyIII complexes? Inorg Chem (2007) 0.75
Exploring the conformational variability in the heme b propionic acid side chains through the effect of a biological probe: a study of the isolated ions. J Phys Chem B (2015) 0.75
Estimation of the PPARα agonism of fibrates by a combined MM-docking approach. Methods Mol Biol (2013) 0.75
Exploring the interest of 1,2-dithiolane ring system in peptide chemistry. Synthesis of a chemotactic tripeptide and x-ray crystal structure of a 4-amino-1,2-dithiolane-4-carboxylic acid derivative. Bioorg Med Chem (2002) 0.75
Selective functionalization of the Si(100) surface by a bifunctional alkynylamine molecule: density functional study of the switching adsorption linkage. 2. J Phys Chem B (2006) 0.75
Aquation of the ruthenium-based anticancer drug NAMI-A: a density functional study. J Phys Chem B (2008) 0.75
Pt-Mo and Pt-W mixed-metal clusters with chelating or bridging diphosphine short-bite ligands (Ph2P)2NH and (Ph2P)2N(CH2)9CH3: a combined synthetic and theoretical study. Inorg Chem (2012) 0.75
Activation of carboplatin by carbonate: a theoretical investigation. Dalton Trans (2012) 0.75