Table of Contents
January 13, 2005
Volume 48, Issue 1
Pages 1-336
About the Cover: Interaction of the β-L-enantiomer of a 4'-C-ethynyl-2',3'-dideoxynucleoside analogue (ent-14-TP) at the active site of HIV reverse transcriptase (Siddiqui, M. A.; et al. J. Med. Chem. 2004, 47, 5041-5048).
Perspective
Control of Hepatitis C: A Medicinal Chemistry Perspective
Christopher P. Gordon and Paul A. Keller
pp 1–20Publication Date (Web): December 09, 2004 (Perspective)
DOI: 10.1021/jm0400101
Hi-Res PDF Letters
Phenazine 5,10-Dioxide Derivatives as Hypoxic Selective Cytotoxins
Hugo Cerecetto, Mercedes González, Ma Laura Lavaggi, Amaia Azqueta, Adela López de Cerain, and Antonio Monge
pp 21–23Publication Date (Web): December 17, 2004 (Letter)
DOI: 10.1021/jm0492150
Propidium-Based Polyamine Ligands as Potent Inhibitors of Acetylcholinesterase and Acetylcholinesterase-Induced Amyloid-β Aggregation
Maria Laura Bolognesi, Vincenza Andrisano, Manuela Bartolini, Rita Banzi, and Carlo Melchiorre
pp 24–27Publication Date (Web): December 15, 2004 (Letter)
DOI: 10.1021/jm049156q
Design, Synthesis, and Biological Evaluation of Prazosin-Related Derivatives as Multipotent Compounds
Alessandra Antonello, Patrizia Hrelia, Amedeo Leonardi, Gabriella Marucci, Michela Rosini, Andrea Tarozzi, Vincenzo Tumiatti, and Carlo Melchiorre
pp 28–31Publication Date (Web): December 17, 2004 (Letter)
DOI: 10.1021/jm049153d
Articles
In Vitro and in Vivo Anti-Leishmanial Activity of Triterpenoid Saponins Isolated from Maesa balansae and Some Chemical Derivatives
Nils Germonprez, Louis Maes, Luc Van Puyvelde, Mai Van Tri, Duong Anh Tuan, and Norbert De Kimpe
pp 32–37Publication Date (Web): December 17, 2004 (Article)
DOI: 10.1021/jm031150y
4-(2-[2-(2(R)-Methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl)benzonitrile and Related 2-Aminoethylbenzofuran H3 Receptor Antagonists Potently Enhance Cognition and Attention
Marlon Cowart, Ramin Faghih, Michael P. Curtis, Gregory A. Gfesser, Youssef L. Bennani, Lawrence A. Black, Liping Pan, Kennan C. Marsh, James P. Sullivan, Timothy A. Esbenshade, Gerard B. Fox, and Arthur A. Hancock
pp 38–55Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm040118g
The Effects of Conformational Constraints and Steric Bulk in the Amino Acid Moiety of Philanthotoxins on AMPAR Antagonism
Malene R. Jørgensen, Christian A. Olsen, Ian R. Mellor, Peter N. R. Usherwood, Matthias Witt, Henrik Franzyk, and Jerzy W. Jaroszewski
pp 56–70Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm049906w
Discovery of Potent, Orally Available Vanilloid Receptor-1 Antagonists. Structure−Activity Relationship of N-Aryl Cinnamides
Elizabeth M. Doherty, Christopher Fotsch, Yunxin Bo, Partha P. Chakrabarti, Ning Chen, Narender Gavva, Nianhe Han, Michael G. Kelly, John Kincaid, Lana Klionsky, Qingyian Liu, Vassil I. Ognyanov, Rami Tamir, Xianghong Wang, Jiawang Zhu, Mark H. Norman, and James J. S. Treanor
pp 71–90Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jm049485i
Nucleotides and Pronucleotides of 2,2-Bis(hydroxymethyl)methylenecyclopropane Analogues of Purine Nucleosides: Synthesis and Antiviral Activity
Zhaohua Yan, Earl R. Kern, Elizabeth Gullen, Yung-Chi Cheng, John C. Drach, and Jiri Zemlicka
pp 91–99Publication Date (Web): December 14, 2004 (Article)
DOI: 10.1021/jm040149b
Potent Bombesin-like Peptides for GRP-Receptor Targeting of Tumors with 99mTc: A Preclinical Study
Berthold A. Nock, Anastasia Nikolopoulou, Athanassios Galanis, Paul Cordopatis, Beatrice Waser, Jean-Claude Reubi, and Theodosia Maina
pp 100–110Publication Date (Web): December 04, 2004 (Article)
DOI: 10.1021/jm049437y
β-Diketo Acid Pharmacophore Hypothesis. 1. Discovery of a Novel Class of HIV-1 Integrase Inhibitors
Raveendra Dayam, Tino Sanchez, Omoshile Clement, Robert Shoemaker, Shizuko Sei, and Nouri Neamati
pp 111–120Publication Date (Web): December 10, 2004 (Article)
DOI: 10.1021/jm0496077
Interaction Profiles of Protein Kinase−Inhibitor Complexes and Their Application to Virtual Screening
Claudio Chuaqui, Zhan Deng, and Juswinder Singh
pp 121–133Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jm049312t
3-Hydroxymethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinoline Inhibitors of Phenylethanolamine N-Methyltransferase that Display Remarkable Potency and Selectivity1
Gary L. Grunewald, F. Anthony Romero, and Kevin R. Criscione
pp 134–140Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm049368n
(2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
Dooseop Kim, Liping Wang, Maria Beconi, George J. Eiermann, Michael H. Fisher, Huaibing He, Gerard J. Hickey, Jennifer E. Kowalchick, Barbara Leiting, Kathryn Lyons, Frank Marsilio, Margaret E. McCann, Reshma A. Patel, Aleksandr Petrov, Giovanna Scapin, Sangita B. Patel, Ranabir Sinha Roy, Joseph K. Wu, Matthew J. Wyvratt, Bei B. Zhang, Lan Zhu, Nancy A. Thornberry, and Ann E. Weber
pp 141–151Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm0493156
Combined Target-Based and Ligand-Based Drug Design Approach as a Tool To Define a Novel 3D-Pharmacophore Model of Human A3 Adenosine Receptor Antagonists: Pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine Derivatives as a Key Study
Stefano Moro, Paolo Braiuca, Francesca Deflorian, Cristina Ferrari, Giorgia Pastorin, Barbara Cacciari, Pier Giovanni Baraldi, Katia Varani, Pier Andrea Borea, and Giampiero Spalluto
pp 152–162Publication Date (Web): December 17, 2004 (Article)
DOI: 10.1021/jm049662f
Design and Crystal Structures of Protein Kinase B-Selective Inhibitors in Complex with Protein Kinase A and Mutants
Christine B. Breitenlechner, Walter-Gunar Friebe, Emmanuel Brunet, Guido Werner, Klaus Graul, Ulrike Thomas, Klaus-Peter Künkele, Wolfgang Schäfer, Michael Gassel, Dirk Bossemeyer, Robert Huber, Richard A. Engh, and Birgit Masjost
pp 163–170Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jm049701n
Dual Angiotensin II and Endothelin A Receptor Antagonists: Synthesis of 2‘-Substituted N-3-Isoxazolyl Biphenylsulfonamides with Improved Potency and Pharmacokinetics
Natesan Murugesan, Zhengxiang Gu, Leena Fadnis, John E. Tellew, Rose Ann F. Baska, Yifan Yang, Sophie M. Beyer, Hossain Monshizadegan, Kenneth E. Dickinson, Maria T. Valentine, W. Griffith Humphreys, Shih-Jung Lan, William R. Ewing, Kenneth E. Carlson, Mark C. Kowala, Robert Zahler, and John E. Macor
pp 171–179Publication Date (Web): December 15, 2004 (Article)
DOI: 10.1021/jm049548x
Modeled Structure of a G-Protein-Coupled Receptor: The Cholecystokinin-1 Receptor
Elodie Archer-Lahlou, Irina Tikhonova, Chantal Escrieut, Marlène Dufresne, Catherine Seva, Lucien Pradayrol, Luis Moroder, Bernard Maigret, and Daniel Fourmy
pp 180–191Publication Date (Web): December 10, 2004 (Article)
DOI: 10.1021/jm049886y
4-Hydroxymethyl-1,6,8-trimethylfuro[2,3-h]quinolin-2(1H)-one Induces Mitochondrial Dysfunction and Apoptosis upon Its Intracellular Oxidation
Adriana Chilin, Giuliano Dodoni, Christian Frezza, Adriano Guiotto, Vera Barbieri, Fabio Di Lisa, and Marcella Canton
pp 192–199Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm0493919
HIV-Reverse Transcriptase Inhibition: Inclusion of Ligand-Induced Fit by Cross-Docking Studies
Rino Ragno, Simona Frasca, Fabrizio Manetti, Antonella Brizzi, and Silvio Massa
pp 200–212Publication Date (Web): December 10, 2004 (Article)
DOI: 10.1021/jm0493921
Docking and 3-D QSAR Studies on Indolyl Aryl Sulfones. Binding Mode Exploration at the HIV-1 Reverse Transcriptase Non-Nucleoside Binding Site and Design of Highly Active N-(2-Hydroxyethyl)carboxamide and N-(2-Hydroxyethyl)carbohydrazide Derivatives
Rino Ragno, Marino Artico, Gabriella De Martino, Giuseppe La Regina, Antonio Coluccia, Alessandra Di Pasquali, and Romano Silvestri
pp 213–223Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jm040854k
5-Substituted, 6-Substituted, and Unsubstituted 3-Heteroaromatic Pyridine Analogues of Nicotine as Selective Inhibitors of Cytochrome P-450 2A6
Travis T. Denton, Xiaodong Zhang, and John R. Cashman
pp 224–239Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm049696n
Hit-Directed Nearest-Neighbor Searching
Veerabahu Shanmugasundaram, Gerald M. Maggiora, and Michael S. Lajiness
pp 240–248Publication Date (Web): December 16, 2004 (Article)
DOI: 10.1021/jm0493515
Acid−Base Profiling of Imatinib (Gleevec) and Its Fragments
Zoltán Szakács, Szabolcs Béni, Zoltán Varga, László Örfi, György Kéri, and Béla Noszál
pp 249–255Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm049546c
β-Glucuronidase-Cleavable Prodrugs of O6-Benzylguanine and O6-Benzyl-2‘-deoxyguanosine
Guangping Wei, Natalia A. Loktionova, Anthony E. Pegg, and Robert C. Moschel
pp 256–261Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm0493865
Discovery of Corticotropin Releasing Factor 2 Receptor Selective Sauvagine Analogues for Treatment of Skeletal Muscle Atrophy
Robert J. Isfort, Feng Wang, Michelle Tscheiner, Elizabeth Donnelly, Mary Beth Bauer, Frank Lefever, Richard T. Hinkle, and Adam W. Mazur
pp 262–265Publication Date (Web): December 10, 2004 (Article)
DOI: 10.1021/jm049490m
Synthesis and Structure−Activity Relationships of 1-Aralkyl-4-Benzylpiperidine and 1-Aralkyl-4-Benzylpiperazine Derivatives as Potent σ Ligands
Luca Costantino, Francesca Gandolfi, Claudia Sorbi, Silvia Franchini, Orazio Prezzavento, Franco Vittorio, Giuseppe Ronsisvalle, Amedeo Leonardi, Elena Poggesi, and Livio Brasili
pp 266–273Publication Date (Web): December 17, 2004 (Article)
DOI: 10.1021/jm049433t
Design and NMR Characterization of Active Analogues of Compstatin Containing Non-Natural Amino Acids
Buddhadeb Mallik, Madan Katragadda, Lynn A. Spruce, Caterina Carafides, Christos G. Tsokos, Dimitrios Morikis, and John D. Lambris
pp 274–286Publication Date (Web): December 14, 2004 (Article)
DOI: 10.1021/jm0495531
Synthesis and Biological Properties of New Stilbene Derivatives of Resveratrol as New Selective Aryl Hydrocarbon Modulators
Philippe de Medina, Robert Casper, Jean-François Savouret, and Marc Poirot
pp 287–291Publication Date (Web): December 09, 2004 (Article)
DOI: 10.1021/jm0498194
Structure−Activity Relationships and Effects on Neuroactive Steroid Synthesis in a Series of 2-Phenylimidazo[1,2-a]pyridineacetamide Peripheral Benzodiazepine Receptors Ligands
Giuseppe Trapani, Valentino Laquintana, Nunzio Denora, Adriana Trapani, Angela Lopedota, Andrea Latrofa, Massimo Franco, Mariangela Serra, Maria Giuseppina Pisu, Ivan Floris, Enrico Sanna, Giovanni Biggio, and Gaetano Liso
pp 292–305Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm049610q
2-(4-Alkylpiperazin-1-yl)quinolines as a New Class of Imidazole-Free Histamine H3 Receptor Antagonists
Florencio Zaragoza, Henrik Stephensen, Bernd Peschke, and Karin Rimvall
pp 306–311Publication Date (Web): December 13, 2004 (Article)
DOI: 10.1021/jm040873u
Derivation and Validation of Toxicophores for Mutagenicity Prediction
Jeroen Kazius, Ross McGuire, and Roberta Bursi
pp 312–320Publication Date (Web): December 17, 2004 (Article)
DOI: 10.1021/jm040835a
Inhibition of Nucleoside Transport Proteins by C8-Alkylamine-Substituted Purines
Reynier A. Tromp, Ronald F. Spanjersberg, Jacobien K. von Frijtag Drabbe Künzel, and Adriaan P. IJzerman
pp 321–329Publication Date (Web): December 14, 2004 (Article)
DOI: 10.1021/jm049303k
Brief Articles
Retro Hydrazino-azapeptoids as Peptidomimetics of Proteasome Inhibitors
Sandrine Aubin, Bénédicte Martin, Jean-Guy Delcros, Yannick Arlot-Bonnemains, and Michèle Baudy-Floc'h
pp 330–334Publication Date (Web): November 24, 2004 (Brief Article)
DOI: 10.1021/jm049455f
Book Reviews
p 335
Publication Date (Web): December 16, 2004 (Book Review)
DOI: 10.1021/jm040198o
Optimization in Drug Discovery. In Vitro Methods Edited by Zhengyin Yan and Gary W. Caldwell. Humana Press, Totowa, NJ. 2004. xv + 418 pp. 16 × 23.5 cm. ISBN 1-588-29-332-7. $135.00.
S. J. Enna
p 335Publication Date (Web): December 09, 2004 (Book Review)
DOI: 10.1021/jm040203o
Additions and Corrections
Synthesis and Ligand Binding of Tropane Ring Analogues of Paroxetine
Kathryn I. Keverline-Frantz, John W. Boja, Michael J. Kuhar, Philip Abraham, Jason P. Burgess, Anita H. Lewin, and F. Ivy Carroll
p 336Publication Date (Web): December 10, 2004 (Addition/Correction)
DOI: 10.1021/jm040189f
Crystal Structures of Staphylococcus aureus Methionine Aminopeptidase Complexed with Keto Heterocycle and Aminoketone Inhibitors Reveal the Formation of a Tetrahedral Intermediate.
Alice Douangamath, Glenn E. Dale, Allan D'Arcy, Michael Almstetter, Robert Eckl, Annabelle Frutos-Hoener, Bernd Henkel, Katrin Illgen, Sven Nerdinger, Henk Schulz, Aengus Mac Sweeney, Michael Thormann, Andreas Treml, Sabine Pierau, Sjoerd Wadman, and Christian Oefner:
p 336Publication Date (Web): December 13, 2004 (Addition/Correction)
DOI: 10.1021/jm040812w