Table of Contents
October 20, 2005
Volume 48, Issue 21
Pages 6523-6766
About the Cover: Illustration of the binding mode of a biheteroaryl inhibitor to vascular endothelial growth factor receptor-2 (Kuo, G.-H.; et al. J. Med. Chem. 2005, 48, 1886-1900).
Perspective
Designed Multiple Ligands. An Emerging Drug Discovery Paradigm
Richard Morphy and Zoran Rankovic
pp 6523–6543Publication Date (Web): September 24, 2005 (Perspective)
DOI: 10.1021/jm058225d
Hi-Res PDF Letters
Structure-Based Design and Discovery of Protein Tyrosine Phosphatase Inhibitors Incorporating Novel Isothiazolidinone Heterocyclic Phosphotyrosine Mimetics
Andrew P. Combs, Eddy W. Yue, Michael Bower, Paul J. Ala, Brian Wayland, Brent Douty, Amy Takvorian, Padmaja Polam, Zelda Wasserman, Wenyu Zhu, Matthew L. Crawley, James Pruitt, Richard Sparks, Brian Glass, Dilip Modi, Erin McLaughlin, Lori Bostrom, Mei Li, Laurine Galya, Karl Blom, Milton Hillman, Lucie Gonneville, Brian G. Reid, Min Wei, Mary Becker-Pasha, Ronald Klabe, Reid Huber, Yanlong Li, Gregory Hollis, Timothy C. Burn, Richard Wynn, Phillip Liu, and Brian Metcalf
pp 6544–6548Publication Date (Web): September 23, 2005 (Letter)
DOI: 10.1021/jm0504555
Selective Inhibition of MCF-7piGST Breast Tumors Using Glutathione Transferase-Derived 2-Methylene-cycloalkenones
Erin Joseph, Bruce Ganem, Julie L. Eiseman, and Donald J. Creighton
pp 6549–6552Publication Date (Web): September 21, 2005 (Letter)
DOI: 10.1021/jm058245f
Articles
Introduction of a cis-Prolyl Mimic in Position 7 of the Peptide Hormone Oxytocin Does Not Result in Antagonistic Activity
Angela Wittelsberger, Luc Patiny, Jirina Slaninova, Claude Barberis, and Manfred Mutter
pp 6553–6562Publication Date (Web): September 17, 2005 (Article)
DOI: 10.1021/jm049205z
G-Protein-Coupled Receptor Affinity Prediction Based on the Use of a Profiling Dataset: QSAR Design, Synthesis, and Experimental Validation
Catherine Rolland, Rafael Gozalbes, Eric Nicolaï, Marie-France Paugam, Laurent Coussy, Frédérique Barbosa, Dragos Horvath, and Frédéric Revah
pp 6563–6574Publication Date (Web): September 22, 2005 (Article)
DOI: 10.1021/jm0500673
Multiple-Ligand-Based Virtual Screening: Methods and Applications of the MTree Approach
Gerhard Hessler, Marc Zimmermann, Hans Matter, Andreas Evers, Thorsten Naumann, Thomas Lengauer, and Matthias Rarey
pp 6575–6584Publication Date (Web): September 20, 2005 (Article)
DOI: 10.1021/jm050078w
Receptor Flexibility in de Novo Ligand Design and Docking
Ian L. Alberts, Nikolay P. Todorov, and Philip M. Dean
pp 6585–6596Publication Date (Web): September 22, 2005 (Article)
DOI: 10.1021/jm050196j
Synthesis and Antimuscarinic Properties of Quinuclidin-3-yl 1,2,3,4-Tetrahydroisoquinoline-2-carboxylate Derivatives as Novel Muscarinic Receptor Antagonists1
Ryo Naito, Yasuhiro Yonetoku, Yoshinori Okamoto, Akira Toyoshima, Ken Ikeda, and Makoto Takeuchi
pp 6597–6606Publication Date (Web): September 28, 2005 (Article)
DOI: 10.1021/jm050099q
Hydroxyethylene Sulfones as a New Scaffold To Address Aspartic Proteases: Design, Synthesis, and Structural Characterization
Edgar Specker, Jark Böttcher, Andreas Heine, Christoph A. Sotriffer, Hauke Lilie, Andreas Schoop, Gerhard Müller, Nils Griebenow, and Gerhard Klebe
pp 6607–6619Publication Date (Web): September 16, 2005 (Article)
DOI: 10.1021/jm050224y
Angiotensin II Pseudopeptides Containing 1,3,5-Trisubstituted Benzene Scaffolds with High AT2 Receptor Affinity
Jennie Georgsson, Christian Sköld, Bianca Plouffe, Gunnar Lindeberg, Milad Botros, Mats Larhed, Fred Nyberg, Nicole Gallo-Payet, Adolf Gogoll, Anders Karlén, and Anders Hallberg
pp 6620–6631Publication Date (Web): September 23, 2005 (Article)
DOI: 10.1021/jm050280z
Heteroaryl-Substituted Naphthalenes and Structurally Modified Derivatives: Selective Inhibitors of CYP11B2 for the Treatment of Congestive Heart Failure and Myocardial Fibrosis
Marieke Voets, Iris Antes, Christiane Scherer, Ursula Müller-Vieira, Klaus Biemel, Catherine Barassin, Sandrine Marchais-Oberwinkler, and Rolf W. Hartmann
pp 6632–6642Publication Date (Web): September 22, 2005 (Article)
DOI: 10.1021/jm0503704
Discovery of Iodinated Somatostatin Analogues Selective for hsst2 and hsst5 with Excellent Inhibition of Growth Hormone and Prolactin Release from Rat Pituitary Cells
Sandra Blaj Moore, Joost van der Hoek, Antonia de Capua, Peter M. van Koetsveld, Leo J. Hofland, Steven W. J. Lamberts, and Murray Goodman
pp 6643–6652Publication Date (Web): September 28, 2005 (Article)
DOI: 10.1021/jm050376t
Improving the Antiviral Efficacy and Selectivity of HIV-1 Reverse Transcriptase Inhibitor TSAO-T by the Introduction of Functional Groups at the N-3 Position
María-Cruz Bonache, Cristina Chamorro, Sonsoles Velázquez, Erik De Clercq, Jan Balzarini, Fátima Rodríguez Barrios, Federico Gago, María-José Camarasa, and Ana San-Félix
pp 6653–6660Publication Date (Web): September 24, 2005 (Article)
DOI: 10.1021/jm050437n
Investigation of the Binding Determinants of Phosphopeptides Targeted to the Src Homology 2 Domain of the Signal Transducer and Activator of Transcription 3. Development of a High-Affinity Peptide Inhibitor
David R. Coleman, IV, Zhiyong Ren, Pijus K. Mandal, Arlin G. Cameron, Garrett A. Dyer, Seema Muranjan, Martin Campbell, Xiaomin Chen, and John S. McMurray
pp 6661–6670Publication Date (Web): September 16, 2005 (Article)
DOI: 10.1021/jm050513m
Ring Systems in Mutagenicity Databases
Richard Kho, Jason A. Hodges, Mark R. Hansen, and Hugo O. Villar
pp 6671–6678Publication Date (Web): September 21, 2005 (Article)
DOI: 10.1021/jm050564j
Antibiotic Binding to Monozinc CphA β-Lactamase from Aeromonas hydropila: Quantum Mechanical/Molecular Mechanical and Density Functional Theory Studies
Dingguo Xu, Yanzi Zhou, Daiqian Xie, and Hua Guo
pp 6679–6689Publication Date (Web): September 17, 2005 (Article)
DOI: 10.1021/jm0505112
Development of Nonsymmetrical 1,4-Disubstituted Anthraquinones That Are Potently Active against Cisplatin-Resistant Ovarian Cancer Cells
Klaus Pors, Jane A. Plumb, Robert Brown, Paul Teesdale-Spittle, Mark Searcey, Paul J. Smith, and Laurence H. Patterson
pp 6690–6695Publication Date (Web): September 15, 2005 (Article)
DOI: 10.1021/jm050438f
Perhydroquinolylbenzamides as Novel Inhibitors of 11β-Hydroxysteroid Dehydrogenase Type 1
Gary M. Coppola, Paivi J. Kukkola, James L. Stanton, Alan D. Neubert, Nicholas Marcopulos, Natalie A. Bilci, Hua Wang, Hollis C. Tomaselli, Jenny Tan, Thomas D. Aicher, Douglas C. Knorr, Arco Y. Jeng, Beatriz Dardik, and Ricardo E. Chatelain
pp 6696–6712Publication Date (Web): September 16, 2005 (Article)
DOI: 10.1021/jm058228q
Synthesis and Structure−Activity Relationships of β- and α-Piperidine Sulfone Hydroxamic Acid Matrix Metalloproteinase Inhibitors with Oral Antitumor Efficacy
Daniel P. Becker, Clara I. Villamil, Thomas E. Barta, Louis J. Bedell, Terri L. Boehm, Gary A. DeCrescenzo, John N. Freskos, Daniel P. Getman, Susan Hockerman, Robert Heintz, Susan Carol Howard, Madeleine H. Li, Joseph J. McDonald, Chris P. Carron, Chris L. Funckes-Shippy, Pramod P. Mehta, Grace E. Munie, and Craig A. Swearingen
pp 6713–6730Publication Date (Web): September 21, 2005 (Article)
DOI: 10.1021/jm0500875
Preliminary Studies of New Proteasome Inhibitors in the Tumor Targeting Approach: Synthesis and in Vitro Cytotoxicity
Magali Vivier, Anne-Sophie Jarrousse, Bernadette Bouchon, Marie-Josephe Galmier, Philippe Auzeloux, Jacques Sauzieres, and Jean-Claude Madelmont
pp 6731–6740Publication Date (Web): September 27, 2005 (Article)
DOI: 10.1021/jm050181l
Structure−Activity Relationship Study on a Simple Cationic Peptide Motif for Cellular Delivery of Antisense Peptide Nucleic Acid
Klaus Albertshofer, Andrew M. Siwkowski, Edward V. Wancewicz, Christine C. Esau, Tanya Watanabe, Kenji C. Nishihara, Garth A. Kinberger, Leila Malik, Anne B. Eldrup, Muthiah Manoharan, Richard S. Geary, Brett P. Monia, Eric E. Swayze, Richard H. Griffey, C. Frank Bennett, and Martin A. Maier
pp 6741–6749Publication Date (Web): September 15, 2005 (Article)
DOI: 10.1021/jm050490b
Glucosamine-glycerophospholipids That Activate Cell-Matrix Adhesion and Migration
Thilo Bartolmäs, Tabea Heyn, Michael Mickeleit, Annette Fischer, Werner Reutter, and Kerstin Danker
pp 6750–6755Publication Date (Web): September 14, 2005 (Article)
DOI: 10.1021/jm050558n
Brief Articles
A Novel Selective GABAA α1 Receptor Agonist Displaying Sedative and Anxiolytic-like Properties in Rodents
Silvia Selleri, Fabrizio Bruni, Camilla Costagli, Annarella Costanzo, Gabriella Guerrini, Giovanna Ciciani, Paola Gratteri, François Besnard, Barbara Costa, Marina Montali, Claudia Martini, Jonna Fohlin, Gaetano De Siena, and Petra Malmberg Aiello
pp 6756–6760Publication Date (Web): September 23, 2005 (Brief Article)
DOI: 10.1021/jm058002n
Mechanisms of Cytotoxicity of Selected Organogold(III) Compounds
Marcella Coronnello, Enrico Mini, Barbara Caciagli, Maria Agostina Cinellu, Alberto Bindoli, Chiara Gabbiani, and Luigi Messori
pp 6761–6765Publication Date (Web): September 24, 2005 (Brief Article)
DOI: 10.1021/jm050493o
Additions and Corrections
Highly Potent 1,4-Benzo-thiazine Derivatives as KATP-Channel Openers
Violetta Cecchetti, Vincenzo Calderone, Oriana Tabarrini, Stefano Sabatini, Enrica Filipponi, Lara Testai, Roberto Spogli, Enrica Martinotti, and Arnaldo Fravolini:
p 6766Publication Date (Web): September 17, 2005 (Addition/Correction)
DOI: 10.1021/jm0580407