Table of Contents
May 20, 2004
Volume 47, Issue 11
Pages 2717-2944
About the Cover: Molecular modeling of overlayed trisubstituted acridine derivatives (mauve and green) complexed with G-quadruplex DNA (Harrison, R. J.; et al. J. Med. Chem. 2003, 46, 4463-4476).
Miniperspective
Vanilloid Receptor TRPV1 Antagonists as the Next Generation of Painkillers. Are We Putting the Cart before the Horse?
Arpad Szallasi and Giovanni Appendino
pp 2717–2723Publication Date (Web): April 03, 2004 (Perspective)
DOI: 10.1021/jm030560j
Hi-Res PDF Letters
Development of Orally Bioavailable Bicyclic Pyrazolones as Inhibitors of Tumor Necrosis Factor-α Production
Michael P. Clark, Steven K. Laughlin, Matthew J. Laufersweiler, Roger G. Bookland, Todd A. Brugel, Adam Golebiowski, Mark P. Sabat, Jennifer A. Townes, John C. VanRens, Jane F. Djung, Michael G. Natchus, Biswanath De, Lily C. Hsieh, Susan C. Xu, Rick L. Walter, Marlene J. Mekel, Sandra A. Heitmeyer, Kimberly K. Brown, Karen Juergens, Yetunde O. Taiwo, and Michael J. Janusz
pp 2724–2727Publication Date (Web): April 24, 2004 (Letter)
DOI: 10.1021/jm049968m
Structure-Based Design and Synthesis of Non-Nucleoside, Potent, and Orally Bioavailable Adenosine Deaminase Inhibitors
Tadashi Terasaka, Hiroyuki Okumura, Kiyoshi Tsuji, Takeshi Kato, Isao Nakanishi, Takayoshi Kinoshita, Yasuko Kato, Masako Kuno, Nobuo Seki, Yoshinori Naoe, Takeshi Inoue, Kohichiro Tanaka, and Katsuya Nakamura
pp 2728–2731Publication Date (Web): April 14, 2004 (Letter)
DOI: 10.1021/jm0499559
Articles
Comparative Molecular Active Site Analysis (CoMASA). 1. An Approach to Rapid Evaluation of 3D QSAR
Takayuki Kotani and Kunihiko Higashiura
pp 2732–2742Publication Date (Web): April 16, 2004 (Article)
DOI: 10.1021/jm030364c
Finding More Needles in the Haystack: A Simple and Efficient Method for Improving High-Throughput Docking Results
Anthony E. Klon, Meir Glick, Mathis Thoma, Pierre Acklin, and John W. Davies
pp 2743–2749Publication Date (Web): April 28, 2004 (Article)
DOI: 10.1021/jm030363k
Chemical Function Based Pharmacophore Generation of Endothelin-A Selective Receptor Antagonists
Oliver F. Funk, Viktor Kettmann, Jan Drimal, and Thierry Langer
pp 2750–2760Publication Date (Web): April 17, 2004 (Article)
DOI: 10.1021/jm031041j
Receptor Flexibility in the in Silico Screening of Reagents in the S1‘ Pocket of Human Collagenase
Per Källblad, Nikolay P. Todorov, Henriëtte M. G. Willems, and Ian L. Alberts
pp 2761–2767Publication Date (Web): April 28, 2004 (Article)
DOI: 10.1021/jm031061l
BREED: Generating Novel Inhibitors through Hybridization of Known Ligands. Application to CDK2, P38, and HIV Protease
Albert C. Pierce, Govinda Rao, and Guy W. Bemis
pp 2768–2775Publication Date (Web): April 20, 2004 (Article)
DOI: 10.1021/jm030543u
Novel Benzo[1,4]diazepin-2-one Derivatives as Endothelin Receptor Antagonists
Martin H. Bolli, Judith Marfurt, Corinna Grisostomi, Christoph Boss, Christoph Binkert, Patrick Hess, Alexander Treiber, Eric Thorin, Keith Morrison, Stephan Buchmann, Daniel Bur, Henri Ramuz, Martine Clozel, Walter Fischli, and Thomas Weller
pp 2776–2795Publication Date (Web): April 23, 2004 (Article)
DOI: 10.1021/jm031115r
Carbonic Anhydrase Inhibitors: Synthesis and Topical Intraocular Pressure Lowering Effects of Fluorine-Containing Inhibitors Devoid of Enhanced Reactivity
Xavier de Leval, Monica Ilies, Angela Casini, Jean-Michel Dogné, Andrea Scozzafava, Emanuela Masini, Francesco Mincione, Michele Starnotti, and Claudiu T. Supuran
pp 2796–2804Publication Date (Web): April 20, 2004 (Article)
DOI: 10.1021/jm031116j
Incorporating Molecular Shape into the Alignment-free GRid-INdependent Descriptors
Fabien Fontaine, Manuel Pastor, and Ferran Sanz
pp 2805–2815Publication Date (Web): April 24, 2004 (Article)
DOI: 10.1021/jm0311240
Syntheses and Characterization of the Acyl Glucuronide and Hydroxy Metabolites of Diclofenac
Jane R. Kenny, James L. Maggs, Xiaoli Meng, Deborah Sinnott, Stephen E. Clarke, B. Kevin Park, and Andrew V. Stachulski
pp 2816–2825Publication Date (Web): April 27, 2004 (Article)
DOI: 10.1021/jm030891w
Carbamoylphosphonates, a New Class of in Vivo Active Matrix Metalloproteinase Inhibitors. 1. Alkyl- and Cycloalkylcarbamoylphosphonic Acids1
Eli Breuer, Claudio J. Salomon, Yiffat Katz, Weibin Chen, Shuiming Lu, Gerd-Volker Röschenthaler, Rivka Hadar, and Reuven Reich
pp 2826–2832Publication Date (Web): April 16, 2004 (Article)
DOI: 10.1021/jm030386z
1-Alkyl-4-acylpiperazines as a New Class of Imidazole-Free Histamine H3 Receptor Antagonists
Florencio Zaragoza, Henrik Stephensen, Sanne M. Knudsen, Lone Pridal, Birgitte S. Wulff, and Karin Rimvall
pp 2833–2838Publication Date (Web): April 23, 2004 (Article)
DOI: 10.1021/jm031028z
Interaction of cycloSal-Pronucleotides with Cholinesterases from Different Origins. A Structure−Activity Relationship
Chris Meier, Christian Ducho, Ulf Görbig, Robert Esnouf, and Jan Balzarini
pp 2839–2852Publication Date (Web): April 23, 2004 (Article)
DOI: 10.1021/jm031032a
Discovery of the First Non-Peptide Full Agonists for the Human Bradykinin B2 Receptor Incorporating 4-(2-Picolyloxy)quinoline and 1-(2-Picolyl)benzimidazole Frameworks
Yuki Sawada, Hiroshi Kayakiri, Yoshito Abe, Tsuyoshi Mizutani, Noriaki Inamura, Masayuki Asano, Chie Hatori, Ichiro Aramori, Teruo Oku, and Hirokazu Tanaka
pp 2853–2863Publication Date (Web): April 16, 2004 (Article)
DOI: 10.1021/jm030468n
A Novel Class of Phosphonate Nucleosides. 9-[(1-Phosphonomethoxycyclopropyl)methyl]guanine as a Potent and Selective Anti-HBV Agent
Jong-Ryoo Choi, Dong-Gyu Cho, Kee Y. Roh, Jae-Taeg Hwang, Sinbyoung Ahn, Hyun S. Jang, Woo-Young Cho, Kyong W. Kim, Young-Gyo Cho, Jeongmin Kim, and Yong-Zu Kim
pp 2864–2869Publication Date (Web): April 16, 2004 (Article)
DOI: 10.1021/jm0305265
Design of New Cognition Enhancers: From Computer Prediction to Synthesis and Biological Evaluation
Athina A. Geronikaki, John C. Dearden, Dmitrii Filimonov, Irina Galaeva, Taissia L. Garibova, Tatiana Gloriozova, Valentina Krajneva, Alexey Lagunin, Fliur Z. Macaev, Guenadij Molodavkin, Vladimir V. Poroikov, Serghei I. Pogrebnoi, Felix Shepeli, Tatiana A. Voronina, Maria Tsitlakidou, and Liudmila Vlad
pp 2870–2876Publication Date (Web): April 16, 2004 (Article)
DOI: 10.1021/jm031086k
Design, Synthesis, and Biological Evaluation of Hybrid Molecules Containing α-Methylene-γ-butyrolactones and Polypyrrole Minor Groove Binders
Pier Giovanni Baraldi, Maria del Carmen Nunez, Mojgan Aghazadeh Tabrizi, Erik De Clercq, Jan Balzarini, Jaime Bermejo, Francisco Estévez, and Romeo Romagnoli
pp 2877–2886Publication Date (Web): April 09, 2004 (Article)
DOI: 10.1021/jm031104y
Synthesis and Structure−Activity Relationship of Acrylamides as KCNQ2 Potassium Channel Openers
Yong-Jin Wu, Huan He, Li-Qiang Sun, Alexandre L'Heureux, Jie Chen, Pierre Dextraze, John E. Starrett, Jr., Christopher G. Boissard, Valentin K. Gribkoff, Joanne Natale, and Steven I. Dworetzky
pp 2887–2896Publication Date (Web): April 16, 2004 (Article)
DOI: 10.1021/jm0305826
Synthesis and Structure−Activity Relationships of 3-Aminobenzophenones as Antimitotic Agents
Jing-Ping Liou, Jang-Yang Chang, Chun-Wei Chang, Chi-Yen Chang, Neeraj Mahindroo, Fu-Ming Kuo, and Hsing-Pang Hsieh
pp 2897–2905Publication Date (Web): April 20, 2004 (Article)
DOI: 10.1021/jm0305974
γ-Amino-Substituted Analogues of 1-[(S)-2,4-Diaminobutanoyl]piperidine as Highly Potent and Selective Dipeptidyl Peptidase II Inhibitors
Kristel Senten, Pieter Van der Veken, Ingrid De Meester, Anne-Marie Lambeir, Simon Scharpé, Achiel Haemers, and Koen Augustyns
pp 2906–2916Publication Date (Web): April 07, 2004 (Article)
DOI: 10.1021/jm031122f
Cytotoxic Activity of Metal Complexes of Biogenic Polyamines: Polynuclear Platinum(II) Chelates
Luísa J. Teixeira, Marta Seabra, Elisa Reis, M. Teresa Girão da Cruz, M. Conceição Pedroso de Lima, Eulália Pereira, M. Adelaide Miranda, and M. Paula M. Marques
pp 2917–2925Publication Date (Web): April 22, 2004 (Article)
DOI: 10.1021/jm0311238
In Vitro Antimalarial Activity of a Series of Cationic 2,2‘-Bipyridyl- and 1,10-Phenanthrolineplatinum(II) Benzoylthiourea Complexes
Timothy J. Egan, Klaus R. Koch, Paul L. Swan, Cailean Clarkson, Donelly A. Van Schalkwyk, and Peter J. Smith
pp 2926–2934Publication Date (Web): April 23, 2004 (Article)
DOI: 10.1021/jm031132g
Brief Articles
Photoaffinity Labeling of the Anionic Sites in Caco-2 Cells Mediating Saturable Transport of Hydrophilic Cations Ranitidine and Famotidine
David L. Bourdet, Kiho Lee, and Dhiren R. Thakker
pp 2935–2938Publication Date (Web): April 16, 2004 (Brief Article)
DOI: 10.1021/jm030433n
Discovery of 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1H-1,2,4-triazole, a Novel in Vivo Cannabinoid Antagonist Containing a 1,2,4-Triazole Motif
Nadine Jagerovic, Laura Hernandez-Folgado, Ibon Alkorta, Pilar Goya, Miguel Navarro, Antonia Serrano, Fernando Rodriguez de Fonseca, M. Teresa Dannert, Angela Alsasua, Margarita Suardiaz, David Pascual, and Maria Isabel Martín
pp 2939–2942Publication Date (Web): April 06, 2004 (Brief Article)
DOI: 10.1021/jm031099y
Book Reviews
Computational Chemistry Using the PC. Third Edition By Donald W. Rogers. John Wiley & Sons, Hoboken, NJ. 2003. xvii + 349 pp. 16 × 23.5 cm. ISBN 1-471-42800-0. $69.95.
Steven W. Muchmore
p 2943Publication Date (Web): April 16, 2004 (Book Review)
DOI: 10.1021/jm0400451
Books of Interest
p 2944Publication Date (Web): April 22, 2004 (Book Review)
DOI: 10.1021/jm040046t