Table of Contents
December 18, 2003
Volume 46, Issue 26
Pages 5553-5843
About the Cover: Connolly surface map of the X-ray structure of the α-thrombin-cyclopentenedicarboxylic acid derivative complex (yellow) at 1.9 Å resolution superimposed on the X-ray structure of the α-thrombin-PPACK complex (magenta) (Thorstensson, F.; et al. J. Med. Chem. 2003, 46, 1165-1179).
Award Address
Design and Synthesis of Novel Bioactive Peptides and Peptidomimetics
Roger M. Freidinger
pp 5553–5566Publication Date (Web): November 21, 2003 (Perspective)
DOI: 10.1021/jm030484k
Hi-Res PDF Letters
Synthesis, in Vitro Affinity, and Efficacy of a Bis 8-Ethynyl-4H-imidazo[1,5a]- [1,4]benzodiazepine Analogue, the First Bivalent α5 Subtype Selective BzR/GABAA Antagonist
Xiaoyan Li, Hui Cao, Chunchun Zhang, Roman Furtmueller, Karoline Fuchs, Sigismund Huck, Werner Sieghart, Jeffrey Deschamps, and James M. Cook
pp 5567–5570Publication Date (Web): November 21, 2003 (Letter)
DOI: 10.1021/jm034164c
Systematic Surface Scan of the Most Favorable Interaction Sites of Magnesium Ions with Tetracycline
Olaf G. Othersen, Harald Lanig, and Timothy Clark
pp 5571–5574Publication Date (Web): November 15, 2003 (Letter)
DOI: 10.1021/jm034199c
Letters
Enantioselective Responses to a Phosphorothioate Analogue of Lysophosphatidic Acid with LPA3 Receptor-Selective Agonist Activity
Lian Qian, Yong Xu, Yutaka Hasegawa, Junken Aoki, Gordon B. Mills, and Glenn D. Prestwich
pp 5575–5578Publication Date (Web): November 20, 2003 (Letter)
DOI: 10.1021/jm034207p
Articles
Novel sst4-Selective Somatostatin (SRIF) Agonists. 1. Lead Identification Using a Betide Scan
Jean Rivier, Judit Erchegyi, Carl Hoeger, Charleen Miller, William Low, Sandra Wenger, Beatrice Waser, Jean-Claude Schaer, and Jean Claude Reubi
pp 5579–5586Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm030243c
Novel sst4-Selective Somatostatin (SRIF) Agonists. 2. Analogues with β-Methyl-3-(2-naphthyl)alanine Substitutions at Position 8
Judit Erchegyi, Botond Penke, Lajos Simon, Scott Michaelson, Sandra Wenger, Beatrice Waser, Renzo Cescato, Jean-Claude Schaer, Jean Claude Reubi, and Jean Rivier
pp 5587–5596Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm0302445
Novel sst4-Selective Somatostatin (SRIF) Agonists. 3. Analogues Amenable to Radiolabeling
Judit Erchegyi, Beatrice Waser, Jean-Claude Schaer, Renzo Cescato, Jean François Brazeau, Jean Rivier, and Jean Claude Reubi
pp 5597–5605Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm030245x
Novel sst4-Selective Somatostatin (SRIF) Agonists. 4. Three-Dimensional Consensus Structure by NMR
Christy Rani R. Grace, Steven C. Koerber, Judit Erchegyi, Jean Claude Reubi, Jean Rivier, and Roland Riek
pp 5606–5618Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm030246p
Rational Design of an Indolebutanoic Acid Derivative as a Novel Aldose Reductase Inhibitor Based on Docking and 3D QSAR Studies of Phenethylamine Derivatives
Won Suck Sun, Yoon Sun Park, Jakyung Yoo, Ki Duk Park, Sung Han Kim, Jung-Han Kim, and Hyun-Ju Park
pp 5619–5627Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm0205346
Investigation of Neuraminidase-Substrate Recognition Using Molecular Dynamics and Free Energy Calculations
Kevin M. Masukawa, Peter A. Kollman, and Irwin D. Kuntz
pp 5628–5637Publication Date (Web): November 26, 2003 (Article)
DOI: 10.1021/jm030060q
Optimization of the Pharmacophore Model for 5-HT7R Antagonism. Design and Synthesis of New Naphtholactam and Naphthosultam Derivatives
María L. López-Rodríguez, Esther Porras, M. José Morcillo, Bellinda Benhamú, Luis J. Soto, José L. Lavandera, José A. Ramos, Mireia Olivella, Mercedes Campillo, and Leonardo Pardo
pp 5638–5650Publication Date (Web): November 08, 2003 (Article)
DOI: 10.1021/jm030841r
Synthesis and Structure−Activity Relationship of Aminobenzophenones. A Novel Class of p38 MAP Kinase Inhibitors with High Antiinflammatory Activity
Erik Rytter Ottosen, Morten Dahl Sørensen, Fredrik Björkling, Tine Skak-Nielsen, Marianne Scheel Fjording, Helle Aaes, and Lise Binderup
pp 5651–5662Publication Date (Web): November 11, 2003 (Article)
DOI: 10.1021/jm030851s
Structure-Based Design, Synthesis, and Antimicrobial Activity of Indazole-Derived SAH/MTA Nucleosidase Inhibitors
Xiaoming Li, Sam Chu, Victoria A. Feher, Mitra Khalili, Zhe Nie, Stephen Margosiak, Victor Nikulin, James Levin, Kelly G. Sprankle, Martina E. Tedder, Robert Almassy, Krzysztof Appelt, and Kraig M. Yager
pp 5663–5673Publication Date (Web): November 22, 2003 (Article)
DOI: 10.1021/jm0302039
Shape Signatures: A New Approach to Computer-Aided Ligand- and Receptor-Based Drug Design
Randy J. Zauhar, Guillermo Moyna, LiFeng Tian, ZhiJian Li, and William J. Welsh
pp 5674–5690Publication Date (Web): November 19, 2003 (Article)
DOI: 10.1021/jm030242k
Analyses of Activity for Factor Xa Inhibitors Based on Monte Carlo Simulations
Dennis Ostrovsky, Marina Udier-Blagović, and William L. Jorgensen
pp 5691–5699Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm030288d
Computer Modeling of Selective Regions in the Active Site of Nitric Oxide Synthases: Implication for the Design of Isoform-Selective Inhibitors
Haitao Ji, Huiying Li, Mack Flinspach, Thomas L. Poulos, and Richard B. Silverman
pp 5700–5711Publication Date (Web): November 22, 2003 (Article)
DOI: 10.1021/jm030301u
Design, Synthesis, and Biological Evaluation of Indenoisoquinoline Topoisomerase I Inhibitors Featuring Polyamine Side Chains on the Lactam Nitrogen
Muthukaman Nagarajan, Xiangshu Xiao, Smitha Antony, Glenda Kohlhagen, Yves Pommier, and Mark Cushman
pp 5712–5724Publication Date (Web): November 21, 2003 (Article)
DOI: 10.1021/jm030313f
Three-Dimensional Quantitative Structure−Activity Relationship Analyses of Peptide Substrates of the Mammalian H+/Peptide Cotransporter PEPT1
Sabine Gebauer, Ilka Knütter, Bianka Hartrodt, Matthias Brandsch, Klaus Neubert, and Iris Thondorf
pp 5725–5734Publication Date (Web): November 14, 2003 (Article)
DOI: 10.1021/jm030976x
Parallel Solid-Phase Synthesis and Evaluation of Inhibitors of Streptomyces coelicolor Type II Dehydroquinase
Concepción González-Bello, Emilio Lence, Miguel D. Toscano, Luis Castedo, John R. Coggins, and Chris Abell
pp 5735–5744Publication Date (Web): November 22, 2003 (Article)
DOI: 10.1021/jm030987q
Synthesis and Biological Evaluation of 3-(4-Substituted-phenyl)-N-hydroxy-2-propenamides, a New Class of Histone Deacetylase Inhibitors
Dae-Kee Kim, Ju Young Lee, Jae-Sun Kim, Je-Ho Ryu, Jin-Young Choi, Jun Won Lee, Guang-Jin Im, Tae-Kon Kim, Jung Woo Seo, Hyun-Ju Park, Jakyung Yoo, Jung-Hyun Park, Tae-You Kim, and Yung-Jue Bang
pp 5745–5751Publication Date (Web): November 22, 2003 (Article)
DOI: 10.1021/jm030377q
Synthesis and Structure−Activity Relationship of Mannose-Based Peptidomimetics Selectively Blocking Integrin α4β7 Binding to Mucosal Addressin Cell Adhesion Molecule-1
Elsa Locardi, Jürgen Boer, Armin Modlinger, Anja Schuster, Bernhard Holzmann, and Horst Kessler
pp 5752–5762Publication Date (Web): November 22, 2003 (Article)
DOI: 10.1021/jm020487h
Synthesis and Biological Evaluation of Iodinated and Fluorinated 9-(2-Hydroxypropyl) and 9-(2-Hydroxyethoxy)methyl Purine Nucleoside Analogues
Svjetlana Prekupec, Draženka Svedružić, Tatjana Gazivoda, Draginja Mrvoš-Sermek, Ante Nagl, Mira Grdiša, Krešimir Pavelić, Jan Balzarini, Erik De Clercq, Gerd Folkers, Leonardo Scapozza, Mladen Mintas, and Silvana Raić-Malić
pp 5763–5772Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm0308747
Novel Lavendamycin Analogues as Potent HIV-Reverse Transcriptase Inhibitors: Synthesis and Evaluation of Anti-Reverse Transcriptase Activity of Amide and Ester Analogues of Lavendamycin
Mohammad Behforouz, Wen Cai, Mark G. Stocksdale, Jennifer S. Lucas, Joo Yong Jung, Daniel Briere, Aiqin Wang, Kevin S. Katen, and Nancy C. Behforouz
pp 5773–5780Publication Date (Web): November 21, 2003 (Article)
DOI: 10.1021/jm0304414
Improving Structure-Based Virtual Screening by Multivariate Analysis of Scoring Data
Micael Jacobsson, Per Lidén, Eva Stjernschantz, Henrik Boström, and Ulf Norinder
pp 5781–5789Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm030896t
Bisintercalating Threading Diacridines: Relationships between DNA Binding, Cytotoxicity, and Cell Cycle Arrest
Laurence P. G. Wakelin, Xianyong Bu, Alexandra Eleftheriou, Alpesh Parmar, Charbel Hayek, and Bernard W. Stewart
pp 5790–5802Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm030253d
Generation of Bis-Cationic Heterocyclic Inhibitors of Bacillus subtilis HPr Kinase/Phosphatase from a Ditopic Dynamic Combinatorial Library
Taridaporn Bunyapaiboonsri, Helena Ramström, Olof Ramström, Jacques Haiech, and Jean-Marie Lehn
pp 5803–5811Publication Date (Web): November 22, 2003 (Article)
DOI: 10.1021/jm030917j
Synthesis and Pharmacological Identification of Neutral Histamine H1-Receptor Antagonists
Marinella Govoni, Remko A. Bakker, Ineke van de Wetering, Martine J. Smit, Wiro M. B. P. Menge, Henk Timmerman, Sigurd Elz, Walter Schunack, and Rob Leurs
pp 5812–5824Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm030936t
Constrained Derivatives of Stylostatin 1. 1. Synthesis and Biological Evaluation as Potential Anticancer Agents
Pilar Forns, Jordi Piró, Carmen Cuevas, Mònica García, Mario Rubiralta, Ernest Giralt, and Anna Diez
pp 5825–5833Publication Date (Web): November 21, 2003 (Article)
DOI: 10.1021/jm030943h
2-Arylureidobenzoic Acids: Selective Noncompetitive Antagonists for the Homomeric Kainate Receptor Subtype GluR5
Jon Valgeirsson, Elsebet Ø. Nielsen, Dan Peters, Thomas Varming, Claus Mathiesen, Anders S. Kristensen, and Ulf Madsen
pp 5834–5843Publication Date (Web): November 20, 2003 (Article)
DOI: 10.1021/jm030428j