Table of Contents
November 4, 2004
Volume 47, Issue 23
Pages 5593-5820
About the Cover: Ribbon rendered illustration of the nuclear receptor heterodimer RXRα(cyan):PPARRγ (red) ligand binding domains bound with coactivator peptides (magenta) and agonist ligands (space-filling atoms where green is carbon, red is oxygen, and blue is nitrogen) (Haffner, C. D.; et al. J. Med. Chem. 2004, 47, 2010-2029).
Letters
Identification of a Selective Inverse Agonist for the Orphan Nuclear Receptor Estrogen-Related Receptor α
Brett B. Busch, William C. Stevens, Jr., Richard Martin, Peter Ordentlich, Sihong Zhou, Douglas W. Sapp, Robert A. Horlick, and Raju Mohan
pp 5593–5596Publication Date (Web): October 01, 2004 (Letter)
DOI: 10.1021/jm049334f
Hi-Res PDFNO-Sartans: A New Class of Pharmacodynamic Hybrids as Cardiovascular Drugs
Maria C. Breschi, Vincenzo Calderone, Maria Digiacomo, Alma Martelli, Enrica Martinotti, Filippo Minutolo, Simona Rapposelli, and Aldo Balsamo
pp 5597–5600Publication Date (Web): October 02, 2004 (Letter)
DOI: 10.1021/jm049681p
Application of ALOGPS 2.1 to Predict log D Distribution Coefficient for Pfizer Proprietary Compounds
Igor V. Tetko and Gennadiy I. Poda
pp 5601–5604Publication Date (Web): October 05, 2004 (Letter)
DOI: 10.1021/jm049509l
A Cyclopent-2-enecarbonyl Group Mimics Proline at the P2 Position of Prolyl Oligopeptidase Inhibitors
Elina M. Jarho, Jarkko I. Venäläinen, Juhani Huuskonen, Johannes A. M. Christiaans, J. Arturo Garcia-Horsman, Markus M. Forsberg, Tomi Järvinen, Jukka Gynther, Pekka T. Männistö, and Erik A. A. Wallén
pp 5605–5607Publication Date (Web): October 01, 2004 (Letter)
DOI: 10.1021/jm049503w
POT-DMC: A Virtual Screening Method for the Identification of Potent Hits
Jeffrey W. Godden, Florence L. Stahura, and Jürgen Bajorath
pp 5608–5611Publication Date (Web): October 12, 2004 (Letter)
DOI: 10.1021/jm049505g
Benzoxepin-Derived Estrogen Receptor Modulators: A Novel Molecular Scaffold for the Estrogen Receptor
David G. Lloyd, Rosario B. Hughes, Daniela M. Zisterer, D. Clive Williams, Caterina Fattorusso, Bruno Catalanotti, Giuseppe Campiani, and Mary J. Meegan
pp 5612–5615Publication Date (Web): October 02, 2004 (Letter)
DOI: 10.1021/jm0495834
Toward a Pharmacophore for Kinase Frequent Hitters
Alex M. Aronov and Mark A. Murcko
pp 5616–5619Publication Date (Web): October 12, 2004 (Letter)
DOI: 10.1021/jm049793g
Articles
Novel Secoergoline Derivatives Inhibit Both GABA and Glutamate Uptake in Rat Brain Homogenates: Synthesis, in Vitro Pharmacology, and Modeling
László Héja, Ilona Kovács, Éva Szárics, Mária Incze, Eszter Temesváriné-Major, Gábor Dörnyei, Mária Peredy-Kajtár, Eszter Gács-Baitz, Csaba Szántay, and Julianna Kardos
pp 5620–5629Publication Date (Web): October 05, 2004 (Article)
DOI: 10.1021/jm040809c
Chemical Adaptor Immunotherapy: Design, Synthesis, and Evaluation of Novel Integrin-Targeting Devices
Lian-Sheng Li, Christoph Rader, Masayuki Matsushita, Sanjib Das, Carlos F. Barbas, III, Richard A. Lerner, and Subhash C. Sinha
pp 5630–5640Publication Date (Web): October 06, 2004 (Article)
DOI: 10.1021/jm049666k
4,5-Dihydro-1H-pyrazole Derivatives with Inhibitory nNOS Activity in Rat Brain: Synthesis and Structure−Activity Relationships
M. Encarnación Camacho, Josefa León, Antonio Entrena, Guillermo Velasco, M. Dora Carrión, Germaine Escames, Antonio Vivó, Darío Acuña-Castroviejo, Miguel A. Gallo, and Antonio Espinosa
pp 5641–5650Publication Date (Web): October 01, 2004 (Article)
DOI: 10.1021/jm0407714
Synthesis and Anticancer Activity of Simplified Indenoisoquinoline Topoisomerase I Inhibitors Lacking Substituents on the Aromatic Rings
Muthukaman Nagarajan, Andrew Morrell, Brian C. Fort, Marintha Rae Meckley, Smitha Antony, Glenda Kohlhagen, Yves Pommier, and Mark Cushman
pp 5651–5661Publication Date (Web): October 02, 2004 (Article)
DOI: 10.1021/jm040025z
Structural Characterization and Pharmacology of a Potent (Cys101−Cys119, Cys110−Cys117) Bicyclic Agouti-Related Protein (AGRP) Melanocortin Receptor Antagonist
Andrzej Wilczynski, Xiang S. Wang, Rayna M. Bauzo, Zhimin Xiang, Amanda M. Shaw, William J. Millard, Nigel G. Richards, Arthur S. Edison, and Carrie Haskell-Luevano
pp 5662–5673Publication Date (Web): October 02, 2004 (Article)
DOI: 10.1021/jm049620r
Synthesis and Biological Evaluation of Novel Membrane-Permeant Cyclic ADP-Ribose Mimics: N1-[(5‘ ‘-O-Phosphorylethoxy)methyl]-5‘-O-phosphorylinosine 5‘,5‘ ‘-Cyclicpyrophosphate (cIDPRE) and 8-Substituted Derivatives
Xianfeng Gu, Zhenjun Yang, Liangren Zhang, Svenja Kunerth, Ralf Fliegert, Karin Weber, Andreas H. Guse, and Lihe Zhang
pp 5674–5682Publication Date (Web): October 07, 2004 (Article)
DOI: 10.1021/jm040092t
A Novel Design Strategy for Stable Metal Complexes of Nitrogen Mustards as Bioreductive Prodrugs
Laurie L. Parker, Stephen M. Lacy, Louis J. Farrugia, Cameron Evans, David J. Robins, C. Caroline O'Hare, John A. Hartley, Mohammed Jaffar, and Ian J. Stratford
pp 5683–5689Publication Date (Web): October 02, 2004 (Article)
DOI: 10.1021/jm049866w
Studies of Targeting and Intracellular Trafficking of an Anti-Androgen Doxorubicin−Formaldehyde Conjugate in PC-3 Prostate Cancer Cells Bearing Androgen Receptor-GFP Chimera
Peter S. Cogan and Tad H. Koch
pp 5690–5699Publication Date (Web): October 02, 2004 (Article)
DOI: 10.1021/jm0495226
Synthesis, Conformational Analysis, and Cytotoxicity of Conformationally Constrained Aplidine and Tamandarin A Analogues Incorporating a Spirolactam β-Turn Mimetic
Marta Gutiérrez-Rodríguez, Mercedes Martín-Martínez, M. Teresa García-López, Rosario Herranz, Félix Cuevas, Concepción Polanco, Ignacio Rodríguez-Campos, Ignacio Manzanares, Francisco Cárdenas, Miguel Feliz, Paul Lloyd-Williams, and Ernest Giralt
pp 5700–5712Publication Date (Web): September 30, 2004 (Article)
DOI: 10.1021/jm040788m
Structure-Based Exploration of Cyclic Dipeptide Chitinase Inhibitors
Douglas R. Houston, Bjørnar Synstad, Vincent G. H. Eijsink, Michael J. R. Stark, Ian M. Eggleston, and Daan M. F. van Aalten
pp 5713–5720Publication Date (Web): October 09, 2004 (Article)
DOI: 10.1021/jm049940a
Distance of Hydroxyl Functionality from the Quaternized Center Influence DNA Binding and in Vitro Gene Delivery Efficacies of Cationic Lipids with Hydroxyalkyl Headgroups
Yenugonda Venkata Mahidhar, Mukthavaram Rajesh, Sunkara Sakunthala Madhavendra, and Arabinda Chaudhuri
pp 5721–5728Publication Date (Web): October 12, 2004 (Article)
DOI: 10.1021/jm049656j
Structural Selectivity of Aromatic Diamidines
Jonathan B. Chaires, Jinsong Ren, Donald Hamelberg, Arvind Kumar, Vandna Pandya, David W. Boykin, and W. David Wilson
pp 5729–5742Publication Date (Web): October 02, 2004 (Article)
DOI: 10.1021/jm049491e
Synthesis and Antiviral Evaluation of Polyhalogenated Imidazole Nucleosides: Dimensional Analogues of 2,5,6-Trichloro-1-(β-d-ribofuranosyl)benzimidazole
Tun-Cheng Chien, Sunita S. Saluja, John C. Drach, and Leroy B. Townsend
pp 5743–5752Publication Date (Web): October 13, 2004 (Article)
DOI: 10.1021/jm040016q
Design, Synthesis, and Antiviral Activity of Certain 3-Substituted 2,5,6-Trichloroindole Nucleosides
John D. Williams, Jiong J. Chen, John C. Drach, and Leroy B. Townsend
pp 5753–5765Publication Date (Web): October 13, 2004 (Article)
DOI: 10.1021/jm0400146
Synthesis and Antiviral Activity of 3-Formyl- and 3-Cyano-2,5,6-trichloroindole Nucleoside Derivatives
John D. Williams, Jiong J. Chen, John C. Drach, and Leroy B. Townsend
pp 5766–5772Publication Date (Web): October 12, 2004 (Article)
DOI: 10.1021/jm040032n
Synthesis, Antiviral Activity, and Mode of Action of Some 3-Substituted 2,5,6-Trichloroindole 2‘- and 5‘-Deoxyribonucleosides
John D. Williams, Roger G. Ptak, John C. Drach, and Leroy B. Townsend
pp 5773–5782Publication Date (Web): October 13, 2004 (Article)
DOI: 10.1021/jm0400606
Synthesis, Structure−Activity Relationships, and in Vivo Properties of 3,4-Dihydro-1H-pyrido[2,3-b]pyrazin-2-ones as Corticotropin-Releasing Factor-1 Receptor Antagonists
Carolyn D. Dzierba, Amy G. Takvorian, Maria Rafalski, Padmaja Kasireddy-Polam, Harvey Wong, Thaddeus F. Molski, Ge Zhang, Yu-Wen Li, Snjezana Lelas, Yong Peng, John F. McElroy, Robert C. Zaczek, Rebecca A. Taub, Andrew P. Combs, Paul J. Gilligan, and George L. Trainor
pp 5783–5790Publication Date (Web): September 29, 2004 (Article)
DOI: 10.1021/jm049737f
Efficient Evaluation of Binding Free Energy Using Continuum Electrostatics Solvation
Danzhi Huang and Amedeo Caflisch
pp 5791–5797Publication Date (Web): October 01, 2004 (Article)
DOI: 10.1021/jm049726m
Design and Synthesis of Novel N-Acetylgalactosamine-Terminated Glycolipids for Targeting of Lipoproteins to the Hepatic Asialoglycoprotein Receptor
Patrick C. N. Rensen, Steven H. van Leeuwen, Leo A. J. M. Sliedregt, Theo J. C. van Berkel, and Erik A. L. Biessen
pp 5798–5808Publication Date (Web): October 06, 2004 (Article)
DOI: 10.1021/jm049481d
Design, Chemical Synthesis, and Biological Evaluation of Thiosaccharide Analogues of Morphine- and Codeine-6-Glucuronide
James M. MacDougall, Xiao-Dong Zhang, Willma E. Polgar, Taline V. Khroyan, Lawrence Toll, and John R. Cashman
pp 5809–5815Publication Date (Web): October 08, 2004 (Article)
DOI: 10.1021/jm049554t
Brief Articles
Antitumor Agents. 239. Isolation, Structure Elucidation, Total Synthesis, and Anti-Breast Cancer Activity of Neo-tanshinlactone from Salvia miltiorrhiza
Xihong Wang, Kenneth F. Bastow, Chang-Ming Sun, Yun-Lian Lin, Hsi-Jung Yu, Ming-Jaw Don, Tian-Shung Wu, Seikou Nakamura, and Kuo-Hsiung Lee
pp 5816–5819Publication Date (Web): October 12, 2004 (Brief Article)
DOI: 10.1021/jm040112r
Book Reviews
p 5820
Publication Date (Web): October 09, 2004 (Book Review)
DOI: 10.1021/jm040148j