Table of Contents
October 6, 2005
Volume 48, Issue 20
Pages 6169-6522
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).
Letters
Discovery of Potent 3,5-Diphenyl-1,2,4-oxadiazole Sphingosine-1-phosphate-1 (S1P1) Receptor Agonists with Exceptional Selectivity against S1P2 and S1P3
Zhen Li, Weirong Chen, Jeffrey J. Hale, Christopher L. Lynch, Sander G. Mills, Richard Hajdu, Carol Ann Keohane, Mark J. Rosenbach, James A. Milligan, Gan-Ju Shei, Gary Chrebet, Stephen A. Parent, James Bergstrom, Deborah Card, Michael Forrest, Elizabeth J. Quackenbush, L. Alexandra Wickham, Hugo Vargas, Rose M. Evans, Hugh Rosen, and Suzanne Mandala
pp 6169–6173Publication Date (Web): September 10, 2005 (Letter)
DOI: 10.1021/jm0503244
Hi-Res PDFIndole-3-acetic Acid Antagonists of the Prostaglandin D2 Receptor CRTH2
Richard E. Armer, Mark R. Ashton, Edward A. Boyd, Chris J. Brennan, Frederick A. Brookfield, Lucien Gazi, Shân L. Gyles, Philip A. Hay, Michael G. Hunter, David Middlemiss, Mark Whittaker, Luzheng Xue, and Roy Pettipher
pp 6174–6177Publication Date (Web): September 10, 2005 (Letter)
DOI: 10.1021/jm050519b
Articles
Acyl Ureas as Human Liver Glycogen Phosphorylase Inhibitors for the Treatment of Type 2 Diabetes
Thomas Klabunde, K. Ulrich Wendt, Dieter Kadereit, Volker Brachvogel, Hans-Jörg Burger, Andreas W. Herling, Nikos G. Oikonomakos, Magda N. Kosmopoulou, Dieter Schmoll, Edoardo Sarubbi, Erich von Roedern, Karl Schönafinger, and Elisabeth Defossa
pp 6178–6193Publication Date (Web): September 09, 2005 (Article)
DOI: 10.1021/jm049034y
Molecular Modeling of Wild-Type and D816V c-Kit Inhibition Based on ATP-Competitive Binding of Ellipticine Derivatives to Tyrosine Kinases
Jérémie Vendôme, Sébastien Letard, Frédéric Martin, Fedor Svinarchuk, Patrice Dubreuil, Christian Auclair, and Marc Le Bret
pp 6194–6201Publication Date (Web): September 07, 2005 (Article)
DOI: 10.1021/jm050231m
Discovery of N-(2,6-Dimethylphenyl)-Substituted Semicarbazones as Anticonvulsants: Hybrid Pharmacophore-Based Design
Perumal Yogeeswari, Dharmarajan Sriram, Rathinasabapathy Thirumurugan, Jegadeesan Vaigunda Raghavendran, Kannan Sudhan, Roheeth Kumar Pavana, and James Stables
pp 6202–6211Publication Date (Web): September 13, 2005 (Article)
DOI: 10.1021/jm050283b
Ligand Recognition by RAR and RXR Receptors: Binding and Selectivity
Fredy Sussman and Angel R. de Lera
pp 6212–6219Publication Date (Web): September 14, 2005 (Article)
DOI: 10.1021/jm050285w
Design and Synthesis of Specific Probes for Human 5-HT4 Receptor Dimerization Studies
Jean-Louis Soulier, Olivier Russo, Mireille Giner, Lucie Rivail, Magali Berthouze, Sandrine Ongeri, Bernard Maigret, Rodolphe Fischmeister, Frank Lezoualc'h, Sames Sicsic, and Isabelle Berque-Bestel
pp 6220–6228Publication Date (Web): September 08, 2005 (Article)
DOI: 10.1021/jm050234z
Design, Synthesis, and Biological Activity of m-Tyrosine-Based 16- and 17-Membered Macrocyclic Inhibitors of Hepatitis C Virus NS3 Serine Protease
Kevin X. Chen, F. George Njoroge, John Pichardo, Andrew Prongay, Nancy Butkiewicz, Nanhua Yao, Vincent Madison, and Viyyoor Girijavallabhan
pp 6229–6235Publication Date (Web): August 31, 2005 (Article)
DOI: 10.1021/jm050323b
Structure−Activity Studies of Peptides from the “Hot-Spot” Region of Human CD2 Protein: Development of Peptides for Immunomodulation
Jining Liu, Jinfa Ying, Vincent T. K. Chow, Victor J. Hruby, and Seetharama D. Satyanarayanajois
pp 6236–6249Publication Date (Web): September 14, 2005 (Article)
DOI: 10.1021/jm0503547
Pharmacophore Modeling, Docking, and Principal Component Analysis Based Clustering: Combined Computer-Assisted Approaches To Identify New Inhibitors of the Human Rhinovirus Coat Protein
Theodora M. Steindl, Carolyn E. Crump, Frederick G. Hayden, and Thierry Langer
pp 6250–6260Publication Date (Web): September 02, 2005 (Article)
DOI: 10.1021/jm050343d
5-Cyanopyrimidine Derivatives as a Novel Class of Potent, Selective, and Orally Active Inhibitors of p38α MAP Kinase
Chunjian Liu, Stephen T. Wrobleski, James Lin, Gulzar Ahmed, Axel Metzger, John Wityak, Kathleen M. Gillooly, David J. Shuster, Kim W. McIntyre, Sidney Pitt, Ding Ren Shen, Rosemary F. Zhang, Hongjian Zhang, Arthur M. Doweyko, David Diller, Ian Henderson, Joel C. Barrish, John H. Dodd, Gary L. Schieven, and Katerina Leftheris
pp 6261–6270Publication Date (Web): September 13, 2005 (Article)
DOI: 10.1021/jm0503594
Glycodiversification for the Optimization of the Kanamycin Class Aminoglycosides
Jinhua Wang, Jie Li, Hsiao-Nung Chen, Huiwen Chang, Christabel Tomla Tanifum, Hsiu-Hsiang Liu, Przemyslaw G. Czyryca, and Cheng-Wei Tom Chang
pp 6271–6285Publication Date (Web): September 02, 2005 (Article)
DOI: 10.1021/jm050368c
Multimodality Agents for Tumor Imaging (PET, Fluorescence) and Photodynamic Therapy. A Possible “See and Treat” Approach
Suresh K. Pandey, Amy L. Gryshuk, Munawwar Sajjad, Xiang Zheng, Yihui Chen, Mohei M. Abouzeid, Janet Morgan, Ivan Charamisinau, Hani A. Nabi, Allan Oseroff, and Ravindra K. Pandey
pp 6286–6295Publication Date (Web): September 07, 2005 (Article)
DOI: 10.1021/jm050427m
DrugScoreCSD
Knowledge-Based Scoring Function Derived from Small Molecule Crystal Data with Superior Recognition Rate of Near-Native Ligand Poses and Better Affinity Prediction
Hans F. G. Velec, Holger Gohlke, and Gerhard Klebe
pp 6296–6303Publication Date (Web): September 07, 2005 (Article)
DOI: 10.1021/jm050436v
Simple but Highly Effective Three-Dimensional Chemical-Feature-Based Pharmacophore Model for Diketo Acid Derivatives as Hepatitis C Virus RNA-Dependent RNA Polymerase Inhibitors
Roberto Di Santo, Maurizio Fermeglia, Marco Ferrone, Maria Silvia Paneni, Roberta Costi, Marino Artico, Alessandra Roux, Mirko Gabriele, Keith D. Tardif, Aleem Siddiqui, and Sabrina Pricl
pp 6304–6314Publication Date (Web): September 09, 2005 (Article)
DOI: 10.1021/jm0504454
Synthesis, Binding Affinity at Glutamic Acid Receptors, Neuroprotective Effects, and Molecular Modeling Investigation of Novel Dihydroisoxazole Amino Acids
Paola Conti, Marco De Amici, Giovanni Grazioso, Gabriella Roda, Andrea Pinto, Kasper Bø Hansen, Birgitte Nielsen, Ulf Madsen, Hans Bräuner-Osborne, Jan Egebjerg, Valentina Vestri, Domenico E. Pellegrini-Giampietro, Pauline Sibille, Francine C. Acher, and Carlo De Micheli
pp 6315–6325Publication Date (Web): September 13, 2005 (Article)
DOI: 10.1021/jm0504499
A Novel Series of Non-Carboxylic Acid, Non-Hydantoin Inhibitors of Aldose Reductase with Potent Oral Activity in Diabetic Rat Models: 6-(5-Chloro-3-methylbenzofuran-2-sulfonyl)-2H-pyridazin-3-one and Congeners
Banavara L. Mylari, Sandra J. Armento, David A. Beebe, Edward L. Conn, James B. Coutcher, Michael S. Dina, Melissa T. O'Gorman, Michael C. Linhares, William H. Martin, Peter J. Oates, David A. Tess, Gregory J. Withbroe, and William J. Zembrowski
pp 6326–6339Publication Date (Web): September 10, 2005 (Article)
DOI: 10.1021/jm050462t
Design, Synthesis, and Activity of Analogues of Phosphinothricin as Inhibitors of Glutamine Synthetase
Łukasz Berlicki, Agnieszka Obojska, Giuseppe Forlani, and Paweł Kafarski
pp 6340–6349Publication Date (Web): September 14, 2005 (Article)
DOI: 10.1021/jm050474e
Alkyl-Substituted Polyaminohydroxamic Acids: A Novel Class of Targeted Histone Deacetylase Inhibitors
Sheeba Varghese, Deepak Gupta, Tiffany Baran, Anchalee Jiemjit, Steven D. Gore, Robert A. Casero, Jr., and Patrick M. Woster
pp 6350–6365Publication Date (Web): September 14, 2005 (Article)
DOI: 10.1021/jm0505009
Synthesis of an Estrogen Receptor β-Selective Radioligand: 5-[18F]Fluoro-(2R*,3S*)-2,3-bis(4-hydroxyphenyl)pentanenitrile and Comparison of in Vivo Distribution with 16α-[18F]Fluoro-17β-estradiol
Jeongsoo Yoo, Carmen S. Dence, Terry L. Sharp, John A. Katzenellenbogen, and Michael J. Welch
pp 6366–6378Publication Date (Web): September 13, 2005 (Article)
DOI: 10.1021/jm050121f
Structure−Activity Relationships of New A,D-Ring Modified Steroids as Aromatase Inhibitors: Design, Synthesis, and Biological Activity Evaluation
Margarida M. D. S. Cepa, Elisiário J. Tavares da Silva, Georgina Correia-da-Silva, Fernanda M. F. Roleira, and Natércia A. A. Teixeira
pp 6379–6385Publication Date (Web): September 09, 2005 (Article)
DOI: 10.1021/jm050129p
Potent Cannabinergic Indole Analogues as Radioiodinatable Brain Imaging Agents for the CB1 Cannabinoid Receptor
Hongfeng Deng, Andrew N. Gifford, Alexander M. Zvonok, Guangjian Cui, Xiuyan Li, Pusheng Fan, Jeffrey R. Deschamps, Judith L. Flippen-Anderson, S. John Gatley, and Alexandros Makriyannis
pp 6386–6392Publication Date (Web): September 09, 2005 (Article)
DOI: 10.1021/jm050135l
Synthesis and Biological Evaluation of Spin-Labeled Alkylphospholipid Analogs
Janez Mravljak, Reiner Zeisig, and Slavko Pečar
pp 6393–6399Publication Date (Web): September 09, 2005 (Article)
DOI: 10.1021/jm050189v
Synthesis and Antiinflammatory Activity of Coumarin Derivatives,
Christos A. Kontogiorgis and Dimitra J. Hadjipavlou-Litina
pp 6400–6408Publication Date (Web): September 13, 2005 (Article)
DOI: 10.1021/jm0580149
Inhibitors of Apoptosis in Lymphocytes: Synthesis and Biological Evaluation of Compounds Related to Pifithrin-α
Sylvie D. Barchéchath, Rommel I. Tawatao, Maripat Corr, Dennis A. Carson, and Howard B. Cottam
pp 6409–6422Publication Date (Web): September 07, 2005 (Article)
DOI: 10.1021/jm0502034
High Affinity Electrophilic and Photoactivatable Covalent Endocannabinoid Probes for the CB1 Receptor
Chen Li, Wei Xu, Subramanian K. Vadivel, Pusheng Fan, and Alexandros Makriyannis
pp 6423–6429Publication Date (Web): September 13, 2005 (Article)
DOI: 10.1021/jm050272i
Adenosine Kinase Inhibitors. 5. Synthesis, Enzyme Inhibition, and Analgesic Activity of Diaryl-erythro-furanosyltubercidin Analogues
Serge H. Boyer, Bheemarao G. Ugarkar, Joel Solbach, Joseph Kopcho, Michael C. Matelich, Kristin Ollis, Jorge E. Gomez-Galeno, Rohan Mendonca, Megumi Tsuchiya, Atsushi Nagahisa, Masami Nakane, James B. Wiesner, and Mark D. Erion
pp 6430–6441Publication Date (Web): September 03, 2005 (Article)
DOI: 10.1021/jm0503650
Synthesis of Leukotriene B4 Antagonists Labeled with In-111 or Tc-99m to Image Infectious and Inflammatory Foci
Matthias Broekema, Julliëtte J. E. M. van Eerd, Wim J. G. Oyen, Frans H. M. Corstens, Rob M. J. Liskamp, Otto C. Boerman, and Thomas D. Harris
pp 6442–6453Publication Date (Web): September 01, 2005 (Article)
DOI: 10.1021/jm050383h
Synthesis and Structure−Activity Relationships of Novel Anti-hepatitis C Agents: N3,5‘-Cyclo-4-(β-d-ribofuranosyl)-vic-triazolo[4,5-b]pyridin-5-one Derivatives
Peiyuan Wang, Jinfa Du, Suguna Rachakonda, Byoung-Kwon Chun, Phillip M. Tharnish, Lieven J. Stuyver, Michael J. Otto, Raymond F. Schinazi, and Kyoichi A. Watanabe
pp 6454–6460Publication Date (Web): September 14, 2005 (Article)
DOI: 10.1021/jm058223t
Synthesis and Structure−Activity Relationship of the First Nonpeptidergic Inverse Agonists for the Human Cytomegalovirus Encoded Chemokine Receptor US28
Janneke W. Hulshof, Paola Casarosa, Wiro M. P. B. Menge, Leena M. S. Kuusisto, Henk van der Goot, Martine J. Smit, Iwan J. P. de Esch, and Rob Leurs
pp 6461–6471Publication Date (Web): September 01, 2005 (Article)
DOI: 10.1021/jm050418d
Unambiguous Synthesis and Prophylactic Antimalarial Activities of Imidazolidinedione Derivatives
Quan Zhang, Jian Guan, John Sacci, Arba Ager, William Ellis, Wilbur Milhous, Dennis Kyle, and Ai J. Lin
pp 6472–6481Publication Date (Web): September 02, 2005 (Article)
DOI: 10.1021/jm0504252
Synthesis and SAR of 5-Amino- and 5-(Aminomethyl)benzofuran Histamine H3 Receptor Antagonists with Improved Potency
Minghua Sun, Chen Zhao, Gregory A. Gfesser, Christine Thiffault, Thomas R. Miller, Kennan Marsh, Jill Wetter, Michael Curtis, Ramin Faghih, Timothy A. Esbenshade, Arthur A. Hancock, and Marlon Cowart
pp 6482–6490Publication Date (Web): September 13, 2005 (Article)
DOI: 10.1021/jm0504398
Design, Synthesis, and Preliminary Pharmacological Evaluation of a Set of Small Molecules That Directly Activate Gi Proteins
Dina Manetti, Lorenzo Di Cesare Mannelli, Silvia Dei, Nicoletta Galeotti, Carla Ghelardini, Maria Novella Romanelli, Serena Scapecchi, Elisabetta Teodori, Alessandra Pacini, Alessandro Bartolini, and Fulvio Gualtieri
pp 6491–6503Publication Date (Web): September 10, 2005 (Article)
DOI: 10.1021/jm050498l
Modeling Water Molecules in Protein−Ligand Docking Using GOLD
Marcel L. Verdonk, Gianni Chessari, Jason C. Cole, Michael J. Hartshorn, Christopher W. Murray, J. Willem M. Nissink, Richard D. Taylor, and Robin Taylor
pp 6504–6515Publication Date (Web): September 14, 2005 (Article)
DOI: 10.1021/jm050543p
Brief Articles
Synthesis and Pharmacological Evaluation of 1H-Imidazoles as Ligands for the Estrogen Receptor and Cytotoxic Inhibitors of the Cyclooxygenase
Thomas Wiglenda, Ingo Ott, Brigitte Kircher, Petra Schumacher, Daniela Schuster, Thierry Langer, and Ronald Gust
pp 6516–6521Publication Date (Web): September 14, 2005 (Brief Article)
DOI: 10.1021/jm050190u
Book Reviews
Reagents for High-Throughput Solid-Phase and Solution-Phase Organic Synthesis Edited by Peter Wipf. John Wiley & Sons, Chichester, West Sussex, England. 2005. xi + 380 pp. 22 × 29 cm. ISBN 0-470-86298-X. $140.00.
Thomas J. Sowin
p 6522Publication Date (Web): September 08, 2005 (Book Review)
DOI: 10.1021/jm058255g