Table of Contents
April 10, 2003
Volume 46, Issue 8
Pages 1279-1566
Letters
A Novel N-Terminal Cyclic Dynorphin A Analogue cycloN,5[Trp3,Trp4,Glu5] Dynorphin A-(1−11)NH2 That Lacks the Basic N-Terminus
Balvinder S. Vig, Thomas F. Murray, and Jane V. Aldrich
pp 1279–1282Publication Date (Web): March 15, 2003 (Letter)
DOI: 10.1021/jm0256023
Hi-Res PDFIdentification of N,N-Disubstituted Phenylalanines as a Novel Class of Inhibitors of Hepatitis C NS5B Polymerase
Laval Chan, T. Jagadeeswar Reddy, Mélanie Proulx, Sanjoy K. Das, Oswy Pereira, Wuyi Wang, Arshad Siddiqui, Constantin G. Yannopoulos, Carl Poisson, Nathalie Turcotte, Alexandre Drouin, M. Hicham Alaoui-Ismaili, Richard Bethell, Martine Hamel, Lucille L'Heureux, Darius Bilimoria, and Nghe Nguyen-Ba
pp 1283–1285Publication Date (Web): March 08, 2003 (Letter)
DOI: 10.1021/jm0340400
Central Neural Tumor Destruction by Controlled Release of a Synthetic Glycoside Dispersed in a Biodegradable Polymeric Matrix
Alfonso Fernández-Mayoralas, Natalia de la Figuera, Mercedes Zurita, Jesús Vaquero, Gustavo A. Abraham, Julio San Román, and Manuel Nieto-Sampedro
pp 1286–1288Publication Date (Web): March 18, 2003 (Letter)
DOI: 10.1021/jm025620k
Synthesis and Evaluation of a Novel Nonsteroidal-Specific Endothelial Cell Proliferation Inhibitor
Jonathan M. Schmidt, Gilles B. Tremblay, Martine Pagé, Julie Mercure, Miklos Feher, Robert Dunn-Dufault, Markus G. Peter, and Peter R. Redden
pp 1289–1292Publication Date (Web): March 15, 2003 (Letter)
DOI: 10.1021/jm034007d
Articles
Generation of Ligand Conformations in Continuum Solvent Consistent with Protein Active Site Topology: Application to Thrombin
Paulette A. Greenidge, Sandrine A. M. Mérette, Richard Beck, Guy Dodson, Christopher A. Goodwin, Michael F. Scully, John Spencer, Jörg Weiser, and John J. Deadman
pp 1293–1305Publication Date (Web): March 18, 2003 (Article)
DOI: 10.1021/jm021028j
Synthesis and Biological and Structural Characterization of the Dual-Acting Peroxisome Proliferator-Activated Receptor α/γ Agonist Ragaglitazar
Søren Ebdrup, Ingrid Pettersson, Hanne B. Rasmussen, Heinz-Josef Deussen, Anette Frost Jensen, Steen B. Mortensen, Jan Fleckner, Lone Pridal, Lars Nygaard, and Per Sauerberg
pp 1306–1317Publication Date (Web): March 01, 2003 (Article)
DOI: 10.1021/jm021027r
Synthesis and Biological Activity of N-Arylpiperazine-Modified Analogues of KN-62, a Potent Antagonist of the Purinergic P2X7 Receptor
Pier Giovanni Baraldi, Maria del Carmen Nuñez, Anna Morelli, Simonetta Falzoni, Francesco Di Virgilio, and Romeo Romagnoli
pp 1318–1329Publication Date (Web): March 07, 2003 (Article)
DOI: 10.1021/jm021049d
A Model for Predicting Likely Sites of CYP3A4-mediated Metabolism on Drug-like Molecules
Suresh B. Singh, Lucy Q. Shen, Matthew J. Walker, and Robert P. Sheridan
pp 1330–1336Publication Date (Web): March 15, 2003 (Article)
DOI: 10.1021/jm020400s
Optimization of 2-Phenylaminoimidazo[4,5-h]isoquinolin-9-ones: Orally Active Inhibitors of lck Kinase
Daniel R. Goldberg, Tanja Butz, Mario G. Cardozo, Robert J. Eckner, Abdelhakim Hammach, Jessica Huang, Scott Jakes, Suresh Kapadia, Mohammed Kashem, Susan Lukas, Tina M. Morwick, Maret Panzenbeck, Usha Patel, Susan Pav, Gregory W. Peet, Jeffrey D. Peterson, Anthony S. Prokopowicz, III, Roger J. Snow, Rosemarie Sellati, Hidenori Takahashi, Jonathan Tan, Matt A. Tschantz, Xiao-Jun Wang, Yong Wang, John Wolak, Pla Xiong, and Neil Moss
pp 1337–1349Publication Date (Web): March 18, 2003 (Article)
DOI: 10.1021/jm020446l
(S)-2-Amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)propionic Acid, a Potent and Selective Agonist at the GluR5 Subtype of Ionotropic Glutamate Receptors. Synthesis, Modeling, and Molecular Pharmacology
Lotte Brehm, Jeremy R. Greenwood, Kasper B. Hansen, Birgitte Nielsen, Jan Egebjerg, Tine B. Stensbøl, Hans Bräuner-Osborne, Frank A. Sløk, Tine T. A. Kronborg, and Povl Krogsgaard-Larsen
pp 1350–1358Publication Date (Web): March 06, 2003 (Article)
DOI: 10.1021/jm0204441
Field Interaction and Geometrical Overlap: A New Simplex and Experimental Design Based Computational Procedure for Superposing Small Ligand Molecules
Fabrizio Melani, Paola Gratteri, Michele Adamo, and Claudia Bonaccini
pp 1359–1371Publication Date (Web): March 12, 2003 (Article)
DOI: 10.1021/jm0210616
Theoretical Studies on the Inhibition Mechanism of Cyclooxygenase-2. Is There a Unique Recognition Site?
Robert Soliva, Carmen Almansa, Susana G. Kalko, F. Javier Luque, and Modesto Orozco
pp 1372–1382Publication Date (Web): March 13, 2003 (Article)
DOI: 10.1021/jm0209376
Mechanism of Action of the Diazabicyclononanone-type κ-Agonists
Ulrike Holzgrabe and Wolfgang Brandt
pp 1383–1389Publication Date (Web): March 15, 2003 (Article)
DOI: 10.1021/jm0210360
Mapping Property Distributions of Molecular Surfaces: Algorithm and Evaluation of a Novel 3D Quantitative Structure−Activity Relationship Technique
Nikolaus Stiefl and Knut Baumann
pp 1390–1407Publication Date (Web): March 08, 2003 (Article)
DOI: 10.1021/jm021077w
De Novo Design, Synthesis, and Evaluation of Novel Nonsteroidal Phenanthrene Ligands for the Estrogen Receptor
Jonathan M. Schmidt, Julie Mercure, Gilles B. Tremblay, Martine Pagé, Aida Kalbakji, Miklos Feher, Robert Dunn-Dufault, Markus G. Peter, and Peter R. Redden
pp 1408–1418Publication Date (Web): March 18, 2003 (Article)
DOI: 10.1021/jm020536q
Novel, Highly Potent Aldose Reductase Inhibitors: Cyano(2-oxo-2,3-dihydroindol-3-yl)acetic Acid Derivatives
Federico Da Settimo, Giampaolo Primofiore, Antonio Da Settimo, Concettina La Motta, Francesca Simorini, Ettore Novellino, Giovanni Greco, Antonio Lavecchia, and Enrico Boldrini
pp 1419–1428Publication Date (Web): March 13, 2003 (Article)
DOI: 10.1021/jm030762f
Three-Dimensional Quantitative Structure−Activity Relationship Studies on Selected MT1 and MT2 Melatonin Receptor Ligands: Requirements for Subtype Selectivity and Intrinsic Activity Modulation
Silvia Rivara, Marco Mor, Claudia Silva, Valentina Zuliani, Federica Vacondio, Gilberto Spadoni, Annalida Bedini, Giorgio Tarzia, Valeria Lucini, Marilou Pannacci, Franco Fraschini, and Pier Vincenzo Plazzi
pp 1429–1439Publication Date (Web): March 19, 2003 (Article)
DOI: 10.1021/jm020982d
Modifications of the Ethanolamine Head in N-Palmitoylethanolamine: Synthesis and Evaluation of New Agents Interfering with the Metabolism of Anandamide
Séverine Vandevoorde, Kent-Olov Jonsson, Christopher J. Fowler, and Didier M. Lambert
pp 1440–1448Publication Date (Web): March 19, 2003 (Article)
DOI: 10.1021/jm0209679
Synthesis and Antiviral Activity of Novel Erythrofuranosyl Imidazo[1,2-a]pyridine C-Nucleosides Constructed via Palladium Coupling of Iodoimidazo[1,2-a]pyridines and Dihydrofuran
Kristjan S. Gudmundsson, John D. Williams, John C. Drach, and Leroy B. Townsend
pp 1449–1455Publication Date (Web): March 07, 2003 (Article)
DOI: 10.1021/jm020339r
Synthesis and Pharmacology of Site Specific Cocaine Abuse Treatment Agents: 8-Substituted Isotropane (3-Azabicyclo[3.2.1]octane) Dopamine Uptake Inhibitors
Deog-Il Kim, Margaret M. Schweri, and Howard M. Deutsch
pp 1456–1464Publication Date (Web): March 15, 2003 (Article)
DOI: 10.1021/jm020410t
Structure−Activity Relationship Studies of Highly Selective Inhibitors of the Dopamine Transporter: N-Benzylpiperidine Analogues of 1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine
Elisabeth Greiner, Thomas Prisinzano, Edward M. Johnson II, Christina M. Dersch, Jamila Marcus, John S. Partilla, Richard B. Rothman, Arthur E. Jacobson, and Kenner C. Rice
pp 1465–1469Publication Date (Web): March 07, 2003 (Article)
DOI: 10.1021/jm020419v
Methoxylation of Desazadesferrithiocin Analogues: Enhanced Iron Clearing Efficiency
Raymond J. Bergeron, Jan Wiegand, James S. McManis, Jörg Bussenius, Richard E. Smith, and William R. Weimar
pp 1470–1477Publication Date (Web): March 11, 2003 (Article)
DOI: 10.1021/jm020412d
Kinase Inhibitors: Not Just for Kinases Anymore
Susan L. McGovern and Brian K. Shoichet
pp 1478–1483Publication Date (Web): March 12, 2003 (Article)
DOI: 10.1021/jm020427b
Antiestrogenically Active 1,1,2-Tris(4-hydroxyphenyl)alkenes without Basic Side Chain: Synthesis and Biological Activity
Veronika Lubczyk, Helmut Bachmann, and Ronald Gust
pp 1484–1491Publication Date (Web): March 11, 2003 (Article)
DOI: 10.1021/jm0210562
N6-Cyclopentyl-2-(3-phenylaminocarbonyltriazene-1-yl)adenosine (TCPA), a Very Selective Agonist with High Affinity for the Human Adenosine A1 Receptor
Margot W. Beukers, Martin J. Wanner, Jacobien K. Von Frijtag Drabbe Künzel, Elisabeth C. Klaasse, Adriaan P. IJzerman, and Gerrit-Jan Koomen
pp 1492–1503Publication Date (Web): March 18, 2003 (Article)
DOI: 10.1021/jm021074j
1,3-Dioxolane-Based Ligands as a Novel Class of α1-Adrenoceptor Antagonists
Livio Brasili, Claudia Sorbi, Silvia Franchini, Massimo Manicardi, Piero Angeli, Gabriella Marucci, Amedeo Leonardi, and Elena Poggesi
pp 1504–1511Publication Date (Web): March 13, 2003 (Article)
DOI: 10.1021/jm021078o
Design, Synthesis, and Biological Evaluation of New Inhibitors of the Endocannabinoid Uptake: Comparison with Effects on Fatty Acid Amidohydrolase
María L. López-Rodríguez, Alma Viso, Silvia Ortega-Gutiérrez, Christopher J. Fowler, Gunnar Tiger, Eva de Lago, Javier Fernández-Ruiz, and José A. Ramos
pp 1512–1522Publication Date (Web): March 15, 2003 (Article)
DOI: 10.1021/jm0210818
Novel Nonimidazole Histamine H3 Receptor Antagonists: 1-(4-(Phenoxymethyl)benzyl)piperidines and Related Compounds
Tibor Mikó, Xavier Ligneau, Heinz H. Pertz, C. Robin Ganellin, Jean-Michel Arrang, Jean-Charles Schwartz, Walter Schunack, and Holger Stark
pp 1523–1530Publication Date (Web): March 07, 2003 (Article)
DOI: 10.1021/jm021084k
Structure−Activity Relationships of (S,Z)-2-Aminopurine Methylenecyclopropane Analogues of Nucleosides. Variation of Purine-6 Substituents and Activity against Herpesviruses and Hepatitis B Virus
Xinchao Chen, Earl R. Kern, John C. Drach, Elizabeth Gullen, Yung-Chi Cheng, and Jiri Zemlicka
pp 1531–1537Publication Date (Web): March 15, 2003 (Article)
DOI: 10.1021/jm0205245
Synthesis and Evaluation of Dopamine and Serotonin Transporter Inhibition by Oxacyclic and Carbacyclic Analogues of Methylphenidate
Peter C. Meltzer, Pinglang Wang, Paul Blundell, and Bertha K. Madras
pp 1538–1545Publication Date (Web): March 11, 2003 (Article)
DOI: 10.1021/jm0205292
N-Aminoimidazole Derivatives Inhibiting Retroviral Replication via a Yet Unidentified Mode of Action
Irene M. Lagoja, Christophe Pannecouque, Arthur Van Aerschot, Myriam Witvrouw, Zeger Debyser, Jan Balzarini, Piet Herdewijn, and Erik De Clercq
pp 1546–1553Publication Date (Web): March 11, 2003 (Article)
DOI: 10.1021/jm0211117
Synthetic, Nondegradable Diadenosine Polyphosphates and Diinosine Polyphosphates: Their Effects on Insulin-Secreting Cells and Cultured Vascular Smooth Muscle Cells
Eugen J. Verspohl, G. Michael Blackburn, Nina Hohmeier, Joost Hagemann, and Matthias Lempka
pp 1554–1562Publication Date (Web): March 18, 2003 (Article)
DOI: 10.1021/jm011070z
Brief Articles
14-Amino, 14-Alkylamino, and 14-Acylamino Analogs of Oxymorphindole. Differential Effects on Opioid Receptor Binding and Functional Profiles
Peter Grundt, Andrew R. Jales, John R. Traynor, John W. Lewis, and Stephen M. Husbands
pp 1563–1566Publication Date (Web): March 12, 2003 (Brief Article)
DOI: 10.1021/jm021073r