Table of Contents
October 7, 2004
Volume 47, Issue 21
Pages 4979-5332
About the Cover: RRibbon 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
Novel Arylsulfoanilide−Oxindole Hybrid as an Anticancer Agent That Inhibits Translation Initiation
Amarnath Natarajan, Yuhong Guo, Frederick Harbinski, Yun-Hua Fan, Han Chen, Lia Luus, Jana Diercks, Huseyin Aktas, Michael Chorev, and Jose A. Halperin
pp 4979–4982Publication Date (Web): September 04, 2004 (Letter)
DOI: 10.1021/jm0496234
Hi-Res PDFInhibiting Human Astrocytoma Growth: Structure−Activity Relationships in Neurostatin Related Glycolipids
Lorenzo Romero-Ramírez and Manuel Nieto-Sampedro
pp 4983–4984Publication Date (Web): September 14, 2004 (Letter)
DOI: 10.1021/jm049816r
11β-Alkyl-Δ9-19-Nortestosterone Derivatives: High-Affinity Ligands and Potent Partial Agonists of the Androgen Receptor
Smita S. Muddana, Aimee M. Price, Megan M. MacBride, and Blake R. Peterson
pp 4985–4988Publication Date (Web): September 14, 2004 (Letter)
DOI: 10.1021/jm0342515
Articles
Structure-Based Discovery of Nonpeptidic Small Organic Compounds To Block the T Cell Response to Myelin Basic Protein
Niklas K. U. Koehler, Chao-Yie Yang, Judith Varady, Yipin Lu, Xiong-wu Wu, Ming Liu, Daxu Yin, Margreet Bartels, Bi-ying Xu, Peter P. Roller, Ya-qiu Long, Peng Li, Michael Kattah, Marjorie L. Cohn, Kelly Moran, Eurona Tilley, John R. Richert, and Shaomeng Wang
pp 4989–4997Publication Date (Web): September 03, 2004 (Article)
DOI: 10.1021/jm030362s
Cyclohexylcarbamic Acid 3‘- or 4‘-Substituted Biphenyl-3-yl Esters as Fatty Acid Amide Hydrolase Inhibitors: Synthesis, Quantitative Structure−Activity Relationships, and Molecular Modeling Studies
Marco Mor, Silvia Rivara, Alessio Lodola, Pier Vincenzo Plazzi, Giorgio Tarzia, Andrea Duranti, Andrea Tontini, Giovanni Piersanti, Satish Kathuria, and Daniele Piomelli
pp 4998–5008Publication Date (Web): September 02, 2004 (Article)
DOI: 10.1021/jm031140x
Rationale, Design, and Synthesis of Novel Phenyl Imidazoles as Opioid Receptor Agonists for Gastrointestinal Disorders
Henry J. Breslin, Tamara A. Miskowski, Bryan M. Rafferty, Santosh V. Coutinho, Jeffrey M. Palmer, Nathaniel H. Wallace, Craig R. Schneider, Edward S. Kimball, Sui-Po Zhang, Jian Li, Raymond W. Colburn, Dennis J. Stone, Rebecca P. Martinez, and Wei He
pp 5009–5020Publication Date (Web): September 04, 2004 (Article)
DOI: 10.1021/jm030548r
Design and Synthesis of Aryl Diphenolic Azoles as Potent and Selective Estrogen Receptor-β Ligands
Michael S. Malamas, Eric S. Manas, Robert E. McDevitt, Iwan Gunawan, Zhang B. Xu, Michael D. Collini, Chris P. Miller, Tam Dinh, Ruth A. Henderson, James C. KeithJr., and Heather A. Harris
pp 5021–5040Publication Date (Web): September 08, 2004 (Article)
DOI: 10.1021/jm049719y
A 4‘-C-Ethynyl-2‘,3‘-Dideoxynucleoside Analogue Highlights the Role of the 3‘-OH in Anti-HIV Active 4‘-C-Ethynyl-2‘-deoxy Nucleosides
Maqbool A. Siddiqui, Stephen H. Hughes, Paul L. Boyer, Hiroaki Mitsuya, Que N. Van, Clifford George, Stefan G. Sarafinanos, and Victor E. Marquez
pp 5041–5048Publication Date (Web): September 01, 2004 (Article)
DOI: 10.1021/jm049550o
Potent and Selective Ketoamide-Based Inhibitors of Cysteine Protease, Cathepsin K
Francis X. Tavares, David N. Deaton, Aaron B. Miller, Larry R. Miller, Lois L. Wright, and Hui-Qiang Zhou
pp 5049–5056Publication Date (Web): September 08, 2004 (Article)
DOI: 10.1021/jm0400799
Ketoamide-Based Inhibitors of Cysteine Protease, Cathepsin K: P3 Modifications
Francis X. Tavares, David N. Deaton, Larry R. Miller, and Lois L. Wright
pp 5057–5068Publication Date (Web): September 08, 2004 (Article)
DOI: 10.1021/jm040107n
Identification of a New Scaffold for Opioid Receptor Antagonism Based on the 2-Amino-1,1-dimethyl-7-hydroxytetralin Pharmacophore
Peter Grundt, Ian A. Williams, John W. Lewis, and Stephen M. Husbands
pp 5069–5075Publication Date (Web): September 08, 2004 (Article)
DOI: 10.1021/jm040807s
Soft Docking and Multiple Receptor Conformations in Virtual Screening
Anna Maria Ferrari, Binqing Q. Wei, Luca Costantino, and Brian K. Shoichet
pp 5076–5084Publication Date (Web): September 08, 2004 (Article)
DOI: 10.1021/jm049756p
Identification and Characterization of Small Molecule Inhibitors of the Calcium-Dependent S100B−p53 Tumor Suppressor Interaction
Joseph Markowitz, Ijen Chen, Rossi Gitti, Donna M. Baldisseri, Yongping Pan, Ryan Udan, France Carrier, Alexander D. MacKerell, Jr., and David J. Weber
pp 5085–5093Publication Date (Web): September 01, 2004 (Article)
DOI: 10.1021/jm0497038
Frontal Affinity Chromatography with MS Detection of EphB2 Tyrosine Kinase Receptor. 1. Comparison with Conventional ELISA
Jacek J. Slon-Usakiewicz, William Ng, J. Estelle Foster, Jin-Rui Dai, Eugen Deretey, Leticia Toledo-Sherman, Peter R. Redden, Andrew Pasternak, and Neil Reid
pp 5094–5100Publication Date (Web): September 14, 2004 (Article)
DOI: 10.1021/jm049733a
Further Structurally Constrained Analogues of cis-(6-Benzhydrylpiperidin-3-yl)benzylamine with Elucidation of Bioactive Conformation: Discovery of 1,4-Diazabicyclo[3.3.1]nonane Derivatives and Evaluation of Their Biological Properties for the Monoamine Transporters
Rohit Kolhatkar, Charles D. Cook, Sujit K. Ghorai, Jeffrey Deschamps, Patrick M. Beardsley, Maarten E. A. Reith, and Aloke K. Dutta
pp 5101–5113Publication Date (Web): September 04, 2004 (Article)
DOI: 10.1021/jm049796t
Hydrogen Bonding Interactions of Covalently Bonded Fluorine Atoms: From Crystallographic Data to a New Angular Function in the GRID Force Field
Emanuele Carosati, Simone Sciabola, and Gabriele Cruciani
pp 5114–5125Publication Date (Web): September 02, 2004 (Article)
DOI: 10.1021/jm0498349
Effects of Altering the Electronics of 2-Methoxyestradiol on Cell Proliferation, on Cytotoxicity in Human Cancer Cell Cultures, and on Tubulin Polymerization
Allison B. Edsall, Arasambattu K. Mohanakrishnan, Donglai Yang, Philip E. Fanwick, Ernest Hamel, Arthur D. Hanson, Gregory E. Agoston, and Mark Cushman
pp 5126–5139Publication Date (Web): September 16, 2004 (Article)
DOI: 10.1021/jm049647a
Antitumor Agents. 234. Design, Synthesis, and Biological Evaluation of Novel 4β-[(4‘ ‘-Benzamido)-Amino]-4‘-O-Demethyl-Epipodophyllotoxin Derivatives
Zhiyan Xiao, Kenneth F. Bastow, John R. Vance, Robert S. Sidwell, Hui-Kang Wang, Ming S. Chen, Qian Shi, and Kuo-Hsiung Lee
pp 5140–5148Publication Date (Web): September 08, 2004 (Article)
DOI: 10.1021/jm030609l
Inhibition of Isoprene Biosynthesis Pathway Enzymes by Phosphonates, Bisphosphonates, and Diphosphates
Feng Cheng and Eric Oldfield
pp 5149–5158Publication Date (Web): September 10, 2004 (Article)
DOI: 10.1021/jm040036s
Modeling the Protonation States of the Catalytic Aspartates in β-Secretase
Ramkumar Rajamani and Charles H. Reynolds
pp 5159–5166Publication Date (Web): September 15, 2004 (Article)
DOI: 10.1021/jm049817j
Synthesis and Conformational Analysis of a Non-Amidine Factor Xa Inhibitor That Incorporates 5-Methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 Binding Element
Noriyasu Haginoya, Syozo Kobayashi, Satoshi Komoriya, Toshiharu Yoshino, Makoto Suzuki, Takashi Shimada, Kengo Watanabe, Yumiko Hirokawa, Taketoshi Furugori, and Takayasu Nagahara
pp 5167–5182Publication Date (Web): September 14, 2004 (Article)
DOI: 10.1021/jm049884d
Long Hydrocarbon Chain Ether Diols and Ether Diacids That Favorably Alter Lipid Disorders in Vivo
Ralf Mueller, Jing Yang, Caiming Duan, Emil Pop, Lian Hao Zhang, Tian-Bao Huang, Anna Denisenko, Olga V. Denisko, Daniela C. Oniciu, Charles L. Bisgaier, Michael E. Pape, Catherine Delaney Freiman, Brian Goetz, Clay T. Cramer, Krista L. Hopson, and Jean-Louis H. Dasseux
pp 5183–5197Publication Date (Web): September 10, 2004 (Article)
DOI: 10.1021/jm0400395
Synthesis and Evaluation of the Affinity toward μ-Opioid Receptors of Atypical, Lipophilic Ligands Based on the Sequence c[-Tyr-Pro-Trp-Phe-Gly-]
Giuliana Cardillo, Luca Gentilucci, Alessandra Tolomelli, Raffaella Spinosa, Maria Calienni, Ahmed R. Qasem, and Santi Spampinato
pp 5198–5203Publication Date (Web): September 09, 2004 (Article)
DOI: 10.1021/jm0498811
Toward a Novel Metal-Based Chemotherapy against Tropical Diseases. 7. Synthesis and in Vitro Antimalarial Activity of New Gold−Chloroquine Complexes
Maribel Navarro, Flor Vásquez, Roberto A. Sánchez-Delgado, Hilda Pérez, Véronique Sinou, and Joseph Schrével
pp 5204–5209Publication Date (Web): September 04, 2004 (Article)
DOI: 10.1021/jm049792o
Novel Cationic Lipids Incorporating an Acid-Sensitive Acylhydrazone Linker: Synthesis and Transfection Properties
Abderrahim Aissaoui, Benjamin Martin, Erwan Kan, Noufissa Oudrhiri, Michelle Hauchecorne, Jean-Pierre Vigneron, Jean-Marie Lehn, and Pierre Lehn
pp 5210–5223Publication Date (Web): September 04, 2004 (Article)
DOI: 10.1021/jm0408159
Carbonic Anhydrase Inhibitors: The First On-Resin Screening of a 4-Sulfamoylphenylthiourea Library
Alessio Innocenti, Angela Casini, Maria C. Alcaro, Anna M. Papini, Andrea Scozzafava, and Claudiu T. Supuran
pp 5224–5229Publication Date (Web): August 25, 2004 (Article)
DOI: 10.1021/jm049692i
Synthesis and Potent Antitumor Activities of Novel 1,3,5-cis,cis-Triaminocyclohexane N-Pyridyl Derivatives
Hyun-Soon Chong, Suzy V. Torti, Rong Ma, Frank M. Torti, and Martin W. Brechbiel
pp 5230–5234Publication Date (Web): September 03, 2004 (Article)
DOI: 10.1021/jm040076w
Subtype Selective Substrates for Histone Deacetylases
Birgit Heltweg, Franck Dequiedt, Brett L. Marshall, Carsten Brauch, Minoru Yoshida, Norikazu Nishino, Eric Verdin, and Manfred Jung
pp 5235–5243Publication Date (Web): September 08, 2004 (Article)
DOI: 10.1021/jm0497592
Rational Design, Synthesis, and Biological Evaluation of Bis(pyrimido[5,6,1-de]acridines) and Bis(pyrazolo[3,4,5-kl]acridine-5-carboxamides) as New Anticancer Agents
Ippolito Antonini, Paolo Polucci, Amelia Magnano, Silvia Sparapani, and Sante Martelli
pp 5244–5250Publication Date (Web): September 11, 2004 (Article)
DOI: 10.1021/jm049706k
Stereoselective Synthesis of Sugar-Modified Enyne Analogues of Adenosine and Uridine. Interaction with S-Adenosyl-l-homocysteine Hydrolase and Antiviral and Cytotoxic Effects
Stanislaw F. Wnuk, Elzbieta Lewandowska, Pablo R. Sacasa, Leigh N. Crain, Jinsong Zhang, Ronald T. Borchardt, and Erik De Clercq
pp 5251–5257Publication Date (Web): September 08, 2004 (Article)
DOI: 10.1021/jm040054+
Full Text HTML2-(2-(Dimethylaminomethyl)phenoxy)-5-iodophenylamine: An Improved Serotonin Transporter Imaging Agent
Hank F. Kung, Suzanne Newman, Seok-Rye Choi, Shunichi Oya, Catherine Hou, Zhi-Ping Zhuang, Paul D. Acton, Karl Plössl, Jeffrey Winkler, and Mei-Ping Kung
pp 5258–5264Publication Date (Web): September 03, 2004 (Article)
DOI: 10.1021/jm049917p
Synthesis of Benzodithiol-2-yl-Substituted Nucleoside Derivatives as Lead Compounds Having Anti-Bovine Viral Diarrhea Virus Activity
Kohji Seio, Takahide Sasaki, Koichirou Yanagida, Masanori Baba, and Mitsuo Sekine
pp 5265–5275Publication Date (Web): September 10, 2004 (Article)
DOI: 10.1021/jm049677d
Synthesis and Evaluation of Nitrofuranylamides as Novel Antituberculosis Agents
Rajendra P. Tangallapally, Raghunandan Yendapally, Robin E. Lee, Kirk Hevener, Victoria C. Jones, Anne J. M. Lenaerts, Michael R. McNeil, Yuehong Wang, Scott Franzblau, and Richard E. Lee
pp 5276–5283Publication Date (Web): September 03, 2004 (Article)
DOI: 10.1021/jm049972y
Structure−Activity Relationship of Heterobase-Modified 2‘-C-Methyl Ribonucleosides as Inhibitors of Hepatitis C Virus RNA Replication
Anne B. Eldrup, Marija Prhavc, Jennifer Brooks, Balkrishen Bhat, Thazha P. Prakash, Quanlai Song, Sanjib Bera, Neelima Bhat, Prasad Dande, P. Dan Cook, C. Frank Bennett, Steven S. Carroll, Richard G. Ball, Michele Bosserman, Christine Burlein, Lawrence F. Colwell, John F. Fay, Osvaldo A. Flores, Krista Getty, Robert L. LaFemina, Joseph Leone, Malcolm MacCoss, Daniel R. McMasters, Joanne E. Tomassini, Derek von Langen, Bohdan Wolanski, and David B. Olsen
pp 5284–5297Publication Date (Web): September 15, 2004 (Article)
DOI: 10.1021/jm040068f
Design and Synthesis of Novel Indole β-Diketo Acid Derivatives as HIV-1 Integrase Inhibitors
Mario Sechi, Massimiliano Derudas, Roberto Dallocchio, Alessandro Dessì, Alessia Bacchi, Luciano Sannia, Fabrizio Carta, Michele Palomba, Omar Ragab, Carney Chan, Robert Shoemaker, Shizuko Sei, Raveendra Dayam, and Nouri Neamati
pp 5298–5310Publication Date (Web): September 16, 2004 (Article)
DOI: 10.1021/jm049944f
Rapid Prediction of Chemical Metabolism by Human UDP-glucuronosyltransferase Isoforms Using Quantum Chemical Descriptors Derived with the Electronegativity Equalization Method
Michael J. Sorich, Ross A. McKinnon, John O. Miners, David A. Winkler, and Paul A. Smith
pp 5311–5317Publication Date (Web): September 15, 2004 (Article)
DOI: 10.1021/jm0495529
5-(Tryptophylamino)-1,3-dioxoperhydropyrido[1,2-c]pyrimidine-Based Cholecystokinin Receptor Antagonists: Reversal of CCK1 Receptor Subtype Selectivity toward CCK2 Receptors
Pilar Muñoz-Ruiz, M. Teresa García-López, Edurne Cenarruzabeitia, Joaquín Del Río, Marlene Dufresne, Magali Foucaud, Daniel Fourmy, and Rosario Herranz
pp 5318–5329Publication Date (Web): September 04, 2004 (Article)
DOI: 10.1021/jm0498755
Book Reviews
Quantitative Structure−Activity Relationship (QSAR) Models of Mutagens and Carcinogens Edited by Romualdo Benigni. CRC Press, Boca Raton, FL. 2003. x + 286 pp. 16 × 24.5 cm. ISBN 0-8493-1507-7. $149.95.
Gordon G. Cash
p 5330Publication Date (Web): September 10, 2004 (Book Review)
DOI: 10.1021/jm040146z
Practice of Gas Chromatography. Fourth Edition Edited by Robert L. Grob and Eugene F. Barry. Wiley-Interscience, Hoboken, NJ. 2004. xi + 1045 pp. 16 × 24 cm. ISBN 0-471-2293-0. $150.00.
John F. Fitzloff
pp 5330–5331Publication Date (Web): September 11, 2004 (Book Review)
DOI: 10.1021/jm040152v
Medicinal and Aromatic Plants of Indian Ocean Islands By Ameenah Gurib-Fakim and Thomas Brendler. Medpharm Scientific Publishers, Stuttgart, Germany. 2004. viii + 567 pp. 20 × 28 cm. ISBN 3-88763-094-7. $169.95.
Govind J. Kapadia
p 5331Publication Date (Web): September 14, 2004 (Book Review)
DOI: 10.1021/jm040147r
Managing Scientists. Leadership Strategies in Scientific Research. Second Edition By Alice M. Sapienza. Wiley-Liss, Hoboken, NJ. 2004. xiii + 246 pp. 15.5 × 23.5 cm. ISBN 0-471-22614-9 (Paperback). $39.95.
Carl Kaiser
pp 5331–5332Publication Date (Web): September 08, 2004 (Book Review)
DOI: 10.1021/jm040150a