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Physicochemical characterization of sildenafil: Ionization, lipophilicity behavior, and ionic-partition diagram sturdied by two-phase titration and electrochemistry Gobry, V.; Bouchard, Géraldine; Carrupt, Pierre-Alain; Testa, Bernard; Girault, H. H. 2000
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Reversible inhibition of MAO-A and B by diazoheterocyclic compounds: Development of QSAR/CoMFA models Altomare, Cosimo; Carieri, A.; Cellamare, S.; Summo, L.; ... Testa, Bernard 2000
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Lipophilicity and related molecular properties as determinants of pharmacokinetic behaviour Testa, Bernard; Caron, Giulia; Crivori, P.; Rey, S.; ... Carrupt, Pierre-Alain 2000
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[Chirality and drugs] Testa, Bernard; Reist, Marianne; Carrupt, Pierre-Alain 2000
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Predicting blood-brain barrier permeation from three-dimensional molecular structure Crivori, P.; Cruciani, Gabriele; Carrupt, Pierre-Alain; Testa, Bernard 2000
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Inhibition of monoamine oxidases by functionalized coumarin derivatives: biological activities, QSARs, and 3D-QSARs Gnerre, Carmela; Catto, M.; Leonetti, F.; Weber, P.; ... Testa, Bernard 2000
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Evaluation and prediction of drug permeation Pagliara, Alessandra; Reist, Marianne; Geinoz, S.; Carrupt, Pierre-Alain; Testa, Bernard 1999
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Charge and delocalisation effects on the lipophilicity of protonable drugs Reymond, F.; Carrupt, Pierre-Alain; Testa, Bernard; Girault, H. H. 1999
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Ionic partition diagrams of ionisable drugs: pH-lipophilicity profiles, transfer mechanisms and charge effects on solvation Reymond, F.; Chopineaux-Courtois, V.; Steyaert, G.; Bouchard, Géraldine; ... Girault, H. H. 1999
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The pH-partition profile of the anti-ischemic drug trimetazidine may explain its reduction of intracellular acidosis Reymond, F.; Steyaert, G.; Carrupt, Pierre-Alain; Morin, D.; ... Testa, Bernard 1999
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Development of a capillary electrophoresis method to monitor protein oxidation and antioxidant protection Salvi, A.; Carrupt, Pierre-Alain; Testa, Bernard 1999
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Combined molecular lipophilicity descriptors and their role in understanding intramolecular effects Caron, Giulia; Reymond, F.; Carrupt, Pierre-Alain; Girault, H. H.; Testa, Bernard 1999
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Structure-lipophilicity relationships of neutral and protonated beta-blockers Part I Intra- and intermolecular effects in isotropic solvent systems Caron, Giulia; Steyaert, G.; Pagliara, Alessandra; Reymond, F.; ... Testa, Bernard 1999
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Structure-property relationships in the basicity and lipophilicity of arylalkylamine oxides Caron, Giulia; Ermondi, Giuseppe; Boschi, D.; Carrupt, Pierre-Alain; ... Gasco, Alberto 1999
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Production and characterization of 22 monoclonal antibodies directed against S 20499, a new potent 5-HT1A chiral agonist: influence of the hapten structure on specificity and stereorecognition Got, P.; Raimbaud, E.; Bussey, C.; Caron, Giulia; ... Scherrmann, J. M. 1999
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Monoamine oxidase inhibitor properties of some benzazoles: structure-activity relationships Grandi, Teresa; Sparatore, F.; Gnerre, Carmela; Crivori, P.; ... Testa, Bernard 1999
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Effects of charge and intramolecular structure on the lipophilicity of nitrophenols Chopineaux-Courtois, V.; Reymond, F.; Bouchard, Géraldine; Carrupt, Pierre-Alain; ... Girault, H. H. 1999
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Isoquinoline derivatives as endogenous neurotoxins in the aetiology of Parkinson's disease McNaught, K. S.; Carrupt, Pierre-Alain; Altomare, Cosimo; Cellamare, S.; ... Marsden, C. D. 1998
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Evidence for the existence of [3H]-trimetazidine binding sites involved in the regulation of the mitochondrial permeability transition pore Morin, D.; Elimadi, A.; Sapena, R.; Crevat, A.; ... Tillement, J. P. 1998
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Facilitated ion transfer reactions across oil/water interfaces - Part II. Use of the convoluted current for the calculation of the association constants and for an amperometric determination of the stoichiometry of MLjz+ complexes Reymond, F.; Lagger, G.; Carrupt, Pierre-Alain; Girault, H. H. 1998
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Facilitated ion transfer reactions across oil vertical bar water interfaces. Part I. Algebraic development and calculation of cyclic voltammetry experiments for successive complex formation Reymond, F.; Carrupt, Pierre-Alain; Girault, H. H. 1998
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Molecular modeling of hen egg lysozyme HEL[52-61] peptide binding to I-A(k) MHC class II molecule Weber, P.; Raynaud, I.; Ettouati, L.; Trescol-Biemont, M. C.; ... Testa, Bernard 1998
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Structure-property relationships of trimetazidine derivatives and model compounds as potential antioxidants Ancerewicz, J.; Migliavacca, E.; Carrupt, Pierre-Alain; Testa, Bernard; ... Le Ridant, A. 1998
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Mechanism and dynamics of methyl and ethyl orange transfer across the water/1,2-dichloroethane interface Ding, Z. F.; Reymond, F.; Baumgartner, P.; Fermin, D. J.; ... Girault, H. H. 1998
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Mechanisms of liposomes/water partitioning of (p-methylbenzyl)alkylamines Fruttero, Roberta; Caron, Giulia; Fornatto, E.; Boschi, D.; ... Testa, Bernard 1998
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Intrinsic and intramolecular lipophilicity effects in O-glucuronides Giroud, Y.; Carrupt, Pierre-Alain; Pagliara, Alessandra; Testa, Bernard; Dickinson, R. G. 1998
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Ligand specificity of the genetic variants of human alpha1-acid glycoprotein: generation of a three-dimensional quantitative structure-activity relationship model for drug binding to the A variant Herve, F.; Caron, Giulia; Duche, J. C.; Gaillard, Patrick; ... Testa, Bernard 1998
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Synthesis, biological activity and molecular modelling of the 53-54 ketomethylene analogue of HEL(52-61) Ettouati, L.; Casimir, J. R.; Raynaud, I.; Trescol-Biemont, M. C.; ... Paris, J. 1998
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Theoretical parameters to characterize antioxidants - Part 2 - The cases of melatonin and carvedilol Migliavacca, E.; Ancerewicz, J.; Carrupt, Pierre-Alain; Testa, Bernard 1998
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Origin of the stereoselectivity in (ethoxycarbonyl)-, cyano-, and phenyl-substituted (arylsulfinyl)methyl radicals Renaud, P.; Bourquard, T.; Carrupt, Pierre-Alain; Gerster, M. 1998
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Inhibition of monoamine oxidase-B by condensed pyridazines and pyrimidines: Effects of lipophilicity and structure-activity relationships Altomare, Cosimo; Cellamare, S.; Summo, L.; Catto, M.; ... Stoeckli-Evans, H. 1998
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Molecular properties and pharmacokinetic behavior of cetirizine, a zwitterionic H1-receptor antagonist Pagliara, Alessandra; Testa, Bernard; Carrupt, Pierre-Alain; Jolliet, Philippe; ... Rihoux, J. P. 1998
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Chiral inversion and hydrolysis of thalidomide: mechanisms and catalysis by bases and serum albumin, and chiral stability of teratogenic metabolites Reist, Marianne; Carrupt, Pierre-Alain; Francotte, Eric; Testa, Bernard 1998
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A cellular automata model of diffusion in aqueous systems Kier, Lemont B.; Cheng, Chao-Kun; Testa, Bernard; Carrupt, Pierre-Alain 1997
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Theoretical parameters to characterize antioxidants.1. The case of vitamin E and analogs Migliavacca, E.; Carrupt, Pierre-Alain; Testa, Bernard 1997
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Cyclic voltammetry for the transfer of multiple charged ions at large ITIES: General computational methodology and application to simple and facilitated ion transfer reactions Reymond, F.; Brevet, P. F.; Carrupt, Pierre-Alain; Girault, H. H. 1997
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Esterase-like activity of human serum albumin toward prodrug esters of nicotinic acid Salvi, A.; Carrupt, Pierre-Alain; Mayer, J. M.; Testa, Bernard 1997
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A systems approach to molecular structure, intermolecular recognition, and emergence-dissolvence in medicinal research Testa, Bernard; Kier, Lemont B.; Carrupt, Pierre-Alain 1997
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Lipophilicity behavior of model and medicinal compounds containing a sulfide, sulfoxide, or sulfone moiety Caron, Giulia; Gaillard, Patrick; Carrupt, Pierre-Alain; Testa, Bernard 1997
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Pharmacokinetics of beta-adrenoceptor blockers in obese and normal volunteers Cheymol, G.; Poirier, J. M.; Carrupt, Pierre-Alain; Testa, Bernard; ... Snoeck, E. 1997
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The origin of the difference between the C-13 and O-17 shift behaviour of carbonyl compounds RCOX: Ab initio calculation of the shielding tensors Dahn, H.; Carrupt, Pierre-Alain 1997
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Blood-to-brain transfer of various oxicams: effects of plasma binding on their brain delivery Jolliet, Philippe; Simon, N.; Bree, F.; Urien, S.; ... Tillement, J. P. 1997
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Solvatochromic analysis of di-n-butyl ether/water partition coefficients as compared to other solvent systems Pagliara, Alessandra; Caron, Giulia; Lisa, G.; Fan, W. Z.; ... Abraham, M. H. 1997
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The racemization of enantiopure drugs: Helping medicinal chemists to approach the problem Reist, Marianne; Testa, Bernard; Carrupt, Pierre-Alain 1997
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Intermolecular forces expressed in 1,2-dichloroethane-water partition coefficients - A solvatochromic analysis Steyaert, G.; Lisa, G.; Gaillard, Patrick; Boss, G.; ... Testa, Bernard 1997
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The molecular behaviour of cetirizine Testa, Bernard; Pagliara, Alessandra; Carrupt, Pierre-Alain 1997
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H3-receptor antagonists: synthesis and structure-activity relationships of para- and meta-substituted 4(5)-phenyl-2-[[2-[4(5)-imidazolyl]ethyl]thio]imidazoles Mor, M.; Bordi, F.; Silva, C.; Rivara, S.; ... Testa, Bernard 1997
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Lipophilicity Profiles of Ampholytes Pagliara, Alessandra; Carrupt, Pierre-Alain; Caron, Giulia; Gaillard, Patrick; Testa, Bernard 1997
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Effects of isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP) on mitochondrial respiration McNaught, K. S.; Thull, Ulrike; Carrupt, Pierre-Alain; Altomare, Cosimo; ... Marsden, C. D. 1996
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Inhibition of [3H]dopamine uptake into striatal synaptosomes by isoquinoline derivatives structurally related to 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine McNaught, K. S.; Thull, Ulrike; Carrupt, Pierre-Alain; Altomare, Cosimo; ... Marsden, C. D. 1996
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