Table of Contents
January 29, 2004
Volume 47, Issue 3
Pages 493-768
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).
Letters
Scaffold Hopping in De Novo Design. Ligand Generation in the Absence of Receptor Information
David G. Lloyd, Christoph L. Buenemann, Nikolay P. Todorov, David T. Manallack, and Philip M. Dean
pp 493–496Publication Date (Web): December 25, 2003 (Letter)
DOI: 10.1021/jm034222u
Hi-Res PDF Articles
Design, Synthesis, and Evaluation of Metabolism-Based Analogues of Haloperidol Incapable of Forming MPP+-like Species
M. Lyles-Eggleston, R. Altundas, J. Xia, D. M. N. Sikazwe, P. Fan, Q. Yang, S. Li, W. Zhang, X. Zhu, A. W. Schmidt, M. Vanase-Frawley, A. Shrihkande, A. Villalobos, R. F. Borne, and S. Y. Ablordeppey
pp 497–508Publication Date (Web): December 23, 2003 (Article)
DOI: 10.1021/jm0301033
Inhibition of the Bacterial Enoyl Reductase FabI by Triclosan: A Structure−Reactivity Analysis of FabI Inhibition by Triclosan Analogues
Sharada Sivaraman, Todd J. Sullivan, Francis Johnson, Polina Novichenok, Guanglei Cui, Carlos Simmerling, and Peter J. Tonge
pp 509–518Publication Date (Web): January 06, 2004 (Article)
DOI: 10.1021/jm030182i
Structural Analysis and Optimization of NK1 Receptor Antagonists through Modulation of Atropisomer Interconversion Properties
Jeffrey S. Albert, Cyrus Ohnmacht, Peter R. Bernstein, William L. Rumsey, David Aharony, Yun Alelyunas, Daniel J. Russell, William Potts, Scott A. Sherwood, Lihong Shen, Robert F. Dedinas, William E. Palmer, and Keith Russell
pp 519–529Publication Date (Web): December 23, 2003 (Article)
DOI: 10.1021/jm030197g
Discovery of 4-Substituted Pyrrolidone Butanamides as New Agents with Significant Antiepileptic Activity
Benoit M. Kenda, Alain C. Matagne, Patrice E. Talaga, Patrick M. Pasau, Edmond Differding, Bénédicte I. Lallemand, Anne M. Frycia, Florence G. Moureau, Henrik V. Klitgaard, Michel R. Gillard, Bruno Fuks, and Philippe Michel
pp 530–549Publication Date (Web): December 25, 2003 (Article)
DOI: 10.1021/jm030913e
Unexpected Nanomolar Inhibition of Carbonic Anhydrase by COX-2-Selective Celecoxib: New Pharmacological Opportunities Due to Related Binding Site Recognition
Alexander Weber, Angela Casini, Andreas Heine, Daniel Kuhn, Claudiu T. Supuran, Andrea Scozzafava, and Gerhard Klebe
pp 550–557Publication Date (Web): December 18, 2003 (Article)
DOI: 10.1021/jm030912m
Evaluation of Docking Performance: Comparative Data on Docking Algorithms
Maria Kontoyianni, Laura M. McClellan, and Glenn S. Sokol
pp 558–565Publication Date (Web): December 31, 2003 (Article)
DOI: 10.1021/jm0302997
Synthesis and Antiviral Activity of (Z)- and (E)-2,2-[Bis(hydroxymethyl)cyclopropylidene]methylpurines and -pyrimidines: Second-Generation Methylenecyclopropane Analogues of Nucleosides1
Shaoman Zhou, Julie M. Breitenbach, Katherine Z. Borysko, John C. Drach, Earl R. Kern, Elizabeth Gullen, Yung-Chi Cheng, and Jiri Zemlicka
pp 566–575Publication Date (Web): December 23, 2003 (Article)
DOI: 10.1021/jm030316s
SAR Studies of Dihydro-β-agarofuran Sesquiterpenes as Inhibitors of the Multidrug-Resistance Phenotype in a Leishmania tropica Line Overexpressing a P-Glycoprotein-Like Transporter
Fernando Cortés-Selva, Mercedes Campillo, Carolina P. Reyes, Ignacio A. Jiménez, Santiago Castanys, Isabel L. Bazzocchi, Leonardo Pardo, Francisco Gamarro, and Angel G. Ravelo
pp 576–587Publication Date (Web): December 30, 2003 (Article)
DOI: 10.1021/jm0309699
Design of Potent, Selective, and Orally Bioavailable Inhibitors of Cysteine Protease Cathepsin K
Francis X. Tavares, Virginia Boncek, David N. Deaton, Anne M. Hassell, Stacey T. Long, Aaron B. Miller, Alan A. Payne, Larry R. Miller, Lisa M. Shewchuk, Kevin Wells-Knecht, Derril H. WillardJr., Lois L. Wright, and Hui-Qiang Zhou
pp 588–599Publication Date (Web): December 24, 2003 (Article)
DOI: 10.1021/jm030373l
Design, Synthesis, and in Vitro Biological Evaluation of Small Molecule Inhibitors of Estrogen Receptor α Coactivator Binding
Alice L. Rodriguez, Anobel Tamrazi, Margaret L. Collins, and John A. Katzenellenbogen
pp 600–611Publication Date (Web): December 30, 2003 (Article)
DOI: 10.1021/jm030404c
Design, Synthesis, and Biological Activity of 4-[(4-Cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as Potent and Selective Farnesyltransferase Inhibitors
Le Wang, Gary T. Wang, Xilu Wang, Yunsong Tong, Gerry Sullivan, David Park, Nicholas M. Leonard, Qun Li, Jerry Cohen, Wen-Zhen Gu, Haiying Zhang, Joy L. Bauch, Clarissa G. Jakob, Charles W. Hutchins, Vincent S. Stoll, Kennan Marsh, Saul H. Rosenberg, Hing L. Sham, and Nan-Horng Lin
pp 612–626Publication Date (Web): January 06, 2004 (Article)
DOI: 10.1021/jm030434f
Synthesis, Biological Properties, and Molecular Modeling Investigations of Novel 3,4-Diarylpyrazolines as Potent and Selective CB1 Cannabinoid Receptor Antagonists
Jos H. M. Lange, Hein K. A. C. Coolen, Herman H. van Stuivenberg, Jessica A. R. Dijksman, Arnoud H. J. Herremans, Eric Ronken, Hiskias G. Keizer, Koos Tipker, Andrew C. McCreary, Willem Veerman, Henri C. Wals, Bob Stork, Peter C. Verveer, Arnold P. den Hartog, Natasja M. J. de Jong, Tiny J. P. Adolfs, Jan Hoogendoorn, and Chris G. Kruse
pp 627–643Publication Date (Web): December 30, 2003 (Article)
DOI: 10.1021/jm031019q
Conformationally Constrained Analogues of Diacylglycerol. 20. The Search for an Elusive Binding Site on Protein Kinase C through Relocation of the Carbonyl Pharmacophore Along the sn-1 Side Chain of 1,2-Diacylglycerol Lactones
Hirokazu Tamamura, Dina M. Sigano, Nancy E. Lewin, Peter M. Blumberg, and Victor E. Marquez
pp 644–655Publication Date (Web): December 31, 2003 (Article)
DOI: 10.1021/jm030454h
Structure−Activity Relationships of N-Acyl Pyrroloquinolone PDE-5 Inhibitors
James C. Lanter, Zhihua Sui, Mark J. Macielag, James J. Fiordeliso, Weiqin Jiang, Yuhong Qiu, Sheela Bhattacharjee, Patricia Kraft, T. Mathew John, Donna Haynes-Johnson, Elizabeth Craig, and Joanna Clancy
pp 656–662Publication Date (Web): December 31, 2003 (Article)
DOI: 10.1021/jm020521s
Synthesis and Biological Evaluation of 2,3,5-Substituted [1,2,4]Thiadiazoles as Allosteric Modulators of Adenosine Receptors
Adrianus M. C. H. van den Nieuwendijk, Daniele Pietra, Laura Heitman, Anikó Göblyös, and Adriaan P. IJzerman
pp 663–672Publication Date (Web): January 06, 2004 (Article)
DOI: 10.1021/jm030863d
Inhibitors of Multiple Mutants of Plasmodium falciparum Dihydrofolate Reductase and Their Antimalarial Activities
Sumalee Kamchonwongpaisan, Rachel Quarrell, Netnapa Charoensetakul, Rachel Ponsinet, Tirayut Vilaivan, Jarunee Vanichtanankul, Bongkoch Tarnchompoo, Worachart Sirawaraporn, Gordon Lowe, and Yongyuth Yuthavong
pp 673–680Publication Date (Web): December 23, 2003 (Article)
DOI: 10.1021/jm030165t
Design, Synthesis, and Biological Evaluation of Thio-Containing Compounds with Serum HDL-Cholesterol-Elevating Properties
Hassan Elokdah, Theodore S. Sulkowski, Magid Abou-Gharbia, John A. Butera, Sie-Yearl Chai, Geraldine R. McFarlane, Mar-Lee McKean, John L. Babiak, Steven J. Adelman, and Elaine M. Quinet
pp 681–695Publication Date (Web): December 30, 2003 (Article)
DOI: 10.1021/jm030219z
Total Synthesis and Antitubulin Activity of C10 Analogues of Cryptophycin-24
Suzanne B. Buck, Jacquelyn K. Huff, Richard H. Himes, and Gunda I. Georg
pp 696–702Publication Date (Web): December 12, 2003 (Article)
DOI: 10.1021/jm030278c
Potent and Selective Conformationally Restricted Neuronal Nitric Oxide Synthase Inhibitors
José A. Gómez-Vidal, Pavel Martásek, Linda J. Roman, and Richard B. Silverman
pp 703–710Publication Date (Web): December 31, 2003 (Article)
DOI: 10.1021/jm030297m
Synthesis of Nitro Esters of Prednisolone, New Compounds Combining Pharmacological Properties of Both Glucocorticoids and Nitric Oxide
Pier Giovanni Baraldi, Romeo Romagnoli, Maria del Carmen Nuñez, Mauro Perretti, Mark J. Paul-Clark, Massimiliano Ferrario, Mirco Govoni, Francesca Benedini, and Ennio Ongini
pp 711–719Publication Date (Web): December 20, 2003 (Article)
DOI: 10.1021/jm030964b
4-[5-Fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]phenyl]-3,4,5,6- tetrahydro-2H-pyran-4-carboxamide, an Orally Active Inhibitor of 5-Lipoxygenase with Improved Pharmacokinetic and Toxicology Characteristics
Takashi Mano, Yoshiyuki Okumura, Minoru Sakakibara, Takako Okumura, Tetsuya Tamura, Kimitaka Miyamoto, and Rodney W. Stevens
pp 720–725Publication Date (Web): December 24, 2003 (Article)
DOI: 10.1021/jm0303554
A New Aliphatic Amino Prodrug System for the Delivery of Small Molecules and Proteins Utilizing Novel PEG Derivatives
Richard B. Greenwald, Hong Zhao, Karen Yang, Prasanna Reddy, and Anthony Martinez
pp 726–734Publication Date (Web): December 23, 2003 (Article)
DOI: 10.1021/jm030369+
Full Text HTMLStructure−Activity Study on the Phe Side Chain Arrangement of Endomorphins Using Conformationally Constrained Analogues
Csaba Tömböly, Katalin E. Kövér, Antal Péter, Dirk Tourwé, Dauren Biyashev, Sándor Benyhe, Anna Borsodi, Mahmoud Al-Khrasani, András Z. Rónai, and Géza Tóth
pp 735–743Publication Date (Web): December 24, 2003 (Article)
DOI: 10.1021/jm0310028
Synthesis and Structure−Activity Relationships of Novel Arylpiperazines as Potent and Selective Agonists of the Melanocortin Subtype-4 Receptor
Timothy I. Richardson, Paul L. Ornstein, Karin Briner, Matthew J. Fisher, Ryan T. Backer, C. Kelly Biggers, Michael P. Clay, Paul J. Emmerson, Larry W. Hertel, Hansen M. Hsiung, Saba Husain, Steven D. Kahl, Jonathan A. Lee, Terry D. Lindstrom, Michael J. Martinelli, John P. Mayer, Jeffery T. Mullaney, Thomas P. O'Brien, Joseph M. Pawlak, Kevin D. Revell, Jikesh Shah, John M. Zgombick, R. Jason Herr, Alex Melekhov, Peter B. Sampson, and Chi-Hsin R. King
pp 744–755Publication Date (Web): January 06, 2004 (Article)
DOI: 10.1021/jm0304109
Anti-AIDS Agents. 52. Synthesis and Anti-HIV Activity of Hydroxymethyl (3‘R,4‘R)-3‘,4‘-Di-O-(S)-camphanoyl-(+)-cis-khellactone Derivatives
Lan Xie, Donglei Yu, Carl Wild, Graham Allaway, Jim Turpin, Philip C. Smith, and Kuo-Hsiung Lee
pp 756–760Publication Date (Web): December 23, 2003 (Article)
DOI: 10.1021/jm030416y
Brief Articles
Platinum(IV) Complex with Adamantylamine as Nonleaving Amine Group: Synthesis, Characterization, and in Vitro Antitumor Activity against a Panel of Cisplatin-Resistant Cancer Cell Lines
František Žák, Jaroslav Turánek, Aleš Kroutil, Petr Sova, Adolf Mistr, Anna Poulová, Petr Mikolin, Zdirad Žák, Andrea Kašná, Dana Záluská, Jiří Neča, Lenka Šindlerová, and Alois Kozubík
pp 761–763Publication Date (Web): December 23, 2003 (Brief Article)
DOI: 10.1021/jm030858+
Performance of 3D-Database Molecular Docking Studies into Homology Models
Connie Oshiro, Erin K. Bradley, John Eksterowicz, Erik Evensen, Michelle L. Lamb, J. Kevin Lanctot, Santosh Putta, Robert Stanton, and Peter D. J. Grootenhuis
pp 764–767Publication Date (Web): January 03, 2004 (Brief Article)
DOI: 10.1021/jm0300781
Additions and Corrections
Generation of Predictive Pharmacophore Models for CCR5 Antagonists: Study with Piperidine- and Piperazine-Based Compounds as a New Class of HIV-1 Entry Inhibitors.
Asim Kumar Debnath:
p 768Publication Date (Web): January 06, 2004 (Addition/Correction)
DOI: 10.1021/jm0306071