Table of Contents
April 8, 2004
Volume 47, Issue 8
Pages 1869-2170
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).
Perspective
Inhibitors of Farnesyltransferase: A Rational Approach to Cancer Chemotherapy?
Ian M. Bell
pp 1869–1878Publication Date (Web): March 11, 2004 (Perspective)
DOI: 10.1021/jm0305467
Hi-Res PDF Letters
Discovery of a Novel Binding Trench in HIV Integrase
Julie R. Schames, Richard H. Henchman, Jay S. Siegel, Christoph A. Sotriffer, Haihong Ni, and J. Andrew McCammon
pp 1879–1881Publication Date (Web): March 09, 2004 (Letter)
DOI: 10.1021/jm0341913
3,3-Diaryl-1,3-dihydroindol-2-ones as Antiproliferatives Mediated by Translation Initiation Inhibition
Amarnath Natarajan, Yun-Hua Fan, Han Chen, Yuhong Guo, Julia Iyasere, Frederick Harbinski, William J. Christ, Huseyin Aktas, and Jose A. Halperin
pp 1882–1885Publication Date (Web): March 09, 2004 (Letter)
DOI: 10.1021/jm0499716
2-Aminothiazole-Derived Opioids. Bioisosteric Replacement of Phenols
Ao Zhang, Wennan Xiong, James E. Hilbert, Emily K. DeVita, Jean M. Bidlack, and John L. Neumeyer
pp 1886–1888Publication Date (Web): March 11, 2004 (Letter)
DOI: 10.1021/jm049978n
Aza-Peptide Michael Acceptors: A New Class of Inhibitors Specific for Caspases and Other Clan CD Cysteine Proteases
Özlem Do
an Ekici, Marion G. Götz, Karen Ellis James, Zhao Zhao Li, Brian J. Rukamp, Juliana L. Asgian, Conor R. Caffrey, Elizabeth Hansell, Jan Dvořák, James H. McKerrow, Jan Potempa, James Travis, Jowita Mikolajczyk, Guy S. Salvesen, and James C. Powers
pp 1889–1892an Ekici, Marion G. Götz, Karen Ellis James, Zhao Zhao Li, Brian J. Rukamp, Juliana L. Asgian, Conor R. Caffrey, Elizabeth Hansell, Jan Dvořák, James H. McKerrow, Jan Potempa, James Travis, Jowita Mikolajczyk, Guy S. Salvesen, and James C. PowersPublication Date (Web): March 11, 2004 (Letter)
DOI: 10.1021/jm049938j
Articles
Design and Syntheses of 1,6-Naphthalene Derivatives as Selective HCMV Protease Inhibitors
Ariamala Gopalsamy, Kitae Lim, John W. Ellingboe, Boris Mitsner, Antonia Nikitenko, Janis Upeslacis, Tarek S. Mansour, Matthew W. Olson, Geraldine A. Bebernitz, Diane Grinberg, Boris Feld, Franklin J. Moy, and John O'Connell
pp 1893–1899Publication Date (Web): March 12, 2004 (Article)
DOI: 10.1021/jm030540h
Synthesis, Screening, and Molecular Modeling of New Potent and Selective Antagonists at the α1d Adrenergic Receptor
Amedeo Leonardi, Daniela Barlocco, Federica Montesano, Giorgio Cignarella, Gianni Motta, Rodolfo Testa, Elena Poggesi, Michele Seeber, Pier G. De Benedetti, and Francesca Fanelli
pp 1900–1918Publication Date (Web): March 12, 2004 (Article)
DOI: 10.1021/jm030944+
Full Text HTMLSyntheses and Neuraminidase Inhibitory Activity of Multisubstituted Cyclopentane Amide Derivatives
Pooran Chand, Y. Sudhakar Babu, Shanta Bantia, Scott Rowland, Ali Dehghani, Pravin L. Kotian, Tracy L. Hutchison, Shoukath Ali, Wayne Brouillette, Yahya El-Kattan, and Tsu-Hsing Lin
pp 1919–1929Publication Date (Web): March 13, 2004 (Article)
DOI: 10.1021/jm0303406
Azasugar-Based MMP/ADAM Inhibitors as Antipsoriatic Agents
Hideki Moriyama, Takahiro Tsukida, Yoshimasa Inoue, Kohichi Yokota, Kohichiro Yoshino, Hirosato Kondo, Nobuaki Miura, and Shin-Ichiro Nishimura
pp 1930–1938Publication Date (Web): March 13, 2004 (Article)
DOI: 10.1021/jm0304313
Orally Bioavailable Competitive CCR5 Antagonists
Gebhard Thoma, François Nuninger, Marc Schaefer, Kayhan G. Akyel, Rainer Albert, Christian Beerli, Christian Bruns, Eric Francotte, Marcel Luyten, Duncan MacKenzie, Lukas Oberer, Markus B. Streiff, Trixie Wagner, Hansrudolf Walter, Gisbert Weckbecker, and Hans-Guenter Zerwes
pp 1939–1955Publication Date (Web): March 11, 2004 (Article)
DOI: 10.1021/jm031046g
Crystal Structures of the Vitamin D Nuclear Receptor Liganded with the Vitamin D Side Chain Analogues Calcipotriol and Seocalcitol, Receptor Agonists of Clinical Importance. Insights into a Structural Basis for the Switching of Calcipotriol to a Receptor Antagonist by Further Side Chain Modification
Giuseppe Tocchini-Valentini, Natacha Rochel, Jean-Marie Wurtz, and Dino Moras
pp 1956–1961Publication Date (Web): March 13, 2004 (Article)
DOI: 10.1021/jm0310582
Identification of Compounds with Nanomolar Binding Affinity for Checkpoint Kinase-1 Using Knowledge-Based Virtual Screening
Paul D. Lyne, Peter W. Kenny, David A. Cosgrove, Chun Deng, Sonya Zabludoff, John J. Wendoloski, and Susan Ashwell
pp 1962–1968Publication Date (Web): March 13, 2004 (Article)
DOI: 10.1021/jm030504i
Discovery, Modeling, and Human Pharmacokinetics of N-(2-Acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a Second Generation, ETA Selective, and Orally Bioavailable Endothelin Antagonist1
Chengde Wu, E. Radford Decker, Natalie Blok, Huong Bui, Tony J. You, Junmei Wang, Andree R. Bourgoyne, Vippra Knowles, Kurt L. Berens, George W. Holland, Tommy A. Brock, and Richard A. F. Dixon
pp 1969–1986Publication Date (Web): March 16, 2004 (Article)
DOI: 10.1021/jm030528p
Synthesis, Biological Activity and Molecular Modeling of 6-Benzylthioinosine Analogues as Subversive Substrates of Toxoplasma gondii Adenosine Kinase
Vikas Yadav, Chung K. Chu, Reem H. Rais, Omar N. Al Safarjalani, Vincenzo Guarcello, Fardos N. M. Naguib, and Mahmoud H. el Kouni
pp 1987–1996Publication Date (Web): March 13, 2004 (Article)
DOI: 10.1021/jm030537y
Synthesis, Antimalarial Activity, and Molecular Modeling of New Pyrrolo[1,2-a]quinoxalines, Bispyrrolo[1,2-a]quinoxalines, Bispyrido[3,2-e]pyrrolo[1,2-a]pyrazines, and Bispyrrolo[1,2-a]thieno[3,2-e]pyrazines
Jean Guillon, Philippe Grellier, Mehdi Labaied, Pascal Sonnet, Jean-Michel Léger, Rébecca Déprez-Poulain, Isabelle Forfar-Bares, Patrick Dallemagne, Nicolas Lemaître, Fabienne Péhourcq, Jacques Rochette, Christian Sergheraert, and Christian Jarry
pp 1997–2009Publication Date (Web): March 16, 2004 (Article)
DOI: 10.1021/jm0310840
Structure-Based Design of Potent Retinoid X Receptor α Agonists
Curt D. Haffner, James M. Lenhard, Aaron B. Miller, Darryl L. McDougald, Kate Dwornik, Olivia R. Ittoop, Robert T. Gampe, Jr., H. Eric Xu, Steve Blanchard, Valerie G. Montana, Tom G. Consler, Randy K. Bledsoe, Andrea Ayscue, and Dallas Croom
pp 2010–2029Publication Date (Web): March 13, 2004 (Article)
DOI: 10.1021/jm030565g
A Phenylnorstatine Inhibitor Binding to HIV-1 Protease: Geometry, Protonation, and Subsite−Pocket Interactions Analyzed at Atomic Resolution
Jiri Brynda, Pavlina Rezacova, Milan Fabry, Magdalena Horejsi, Renata Stouracova, Juraj Sedlacek, Milan Soucek, Martin Hradilek, Martin Lepsik, and Jan Konvalinka
pp 2030–2036Publication Date (Web): March 10, 2004 (Article)
DOI: 10.1021/jm031105q
Discovery of Novel 2,8-Diazaspiro[4.5]decanes as Orally Active Glycoprotein IIb-IIIa Antagonists
Mukund M. Mehrotra, Julie A. Heath, Mark S. Smyth, Anjali Pandey, Jack W. Rose, Joseph M. Seroogy, Deborah L. Volkots, Lisa Nannizzi-Alaimo, Gary L. Park, Joseph L. Lambing, Stanley J. Hollenbach, and Robert M. Scarborough
pp 2037–2061Publication Date (Web): March 11, 2004 (Article)
DOI: 10.1021/jm030354b
Punaglandins, Chlorinated Prostaglandins, Function as Potent Michael Receptors To Inhibit Ubiquitin Isopeptidase Activity
Sheryl M. Verbitski, James E. Mullally, Frank A. Fitzpatrick, and Chris M. Ireland
pp 2062–2070Publication Date (Web): March 11, 2004 (Article)
DOI: 10.1021/jm030448l
Synthesis and Selective Inhibitory Activity of 1-Acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole Derivatives against Monoamine Oxidase
Franco Chimenti, Adriana Bolasco, Fedele Manna, Daniela Secci, Paola Chimenti, Olivia Befani, Paola Turini, Valentina Giovannini, Bruno Mondovì, Roberto Cirilli, and Francesco La Torre
pp 2071–2074Publication Date (Web): March 16, 2004 (Article)
DOI: 10.1021/jm031042b
Synthesis and Biological Evaluation of New 1,2-Dihydro-4-hydroxy-2-oxo-3-quinolinecarboxamides for Treatment of Autoimmune Disorders: Structure−Activity Relationship
Stig Jönsson, Gunnar Andersson, Tomas Fex, Tomas Fristedt, Gunnar Hedlund, Karl Jansson, Lisbeth Abramo, Ingela Fritzson, Olga Pekarski, Anna Runström, Helena Sandin, Ingela Thuvesson, and Anders Björk
pp 2075–2088Publication Date (Web): March 16, 2004 (Article)
DOI: 10.1021/jm031044w
NR2B-Selective N-Methyl-d-aspartate Antagonists: Synthesis and Evaluation of 5-Substituted Benzimidazoles
John A. McCauley, Cory R. Theberge, Joseph J. Romano, Susan B. Billings, Kenneth D. Anderson, David A. Claremon, Roger M. Freidinger, Rodney A. Bednar, Scott D. Mosser, Stanley L. Gaul, Thomas M. Connolly, Cindra L. Condra, Menghang Xia, Michael E. Cunningham, Bohumil Bednar, Gary L. Stump, Joseph J. Lynch, Alison Macaulay, Keith A. Wafford, Kenneth S. Koblan, and Nigel J. Liverton
pp 2089–2096Publication Date (Web): March 11, 2004 (Article)
DOI: 10.1021/jm030483s
Synthesis and Structure−Activity Relationships of Novel 7-Substituted 1,4-Dihydro-4-oxo-1-(2-thiazolyl)-1,8-naphthyridine-3-carboxylic Acids as Antitumor Agents. Part 2
Yasunori Tsuzuki, Kyoji Tomita, Koh-ichiro Shibamori, Yuji Sato, Shigeki Kashimoto, and Katsumi Chiba
pp 2097–2109Publication Date (Web): March 06, 2004 (Article)
DOI: 10.1021/jm0304966
Design, Synthesis, and Biological Activity of 1,3-Disubstituted Ureas as Potent Inhibitors of the Soluble Epoxide Hydrolase of Increased Water Solubility
In-Hae Kim, Christophe Morisseau, Takaho Watanabe, and Bruce D. Hammock
pp 2110–2122Publication Date (Web): March 17, 2004 (Article)
DOI: 10.1021/jm030514j
Design, Syntheses and In Vitro Gene Delivery Efficacies of Novel Mono-, Di- and Trilysinated Cationic Lipids: A Structure−Activity Investigation
Priya P. Karmali, Valluripalli V. Kumar, and Arabinda Chaudhuri
pp 2123–2132Publication Date (Web): February 19, 2004 (Article)
DOI: 10.1021/jm030541+
Distamycin Analogues with Enhanced Lipophilicity: Synthesis and Antimicrobial Activity
Abedawn I. Khalaf, Roger D. Waigh, Allan J. Drummond, Breffni Pringle, Ian McGroarty, Graham G. Skellern, and Colin J. Suckling
pp 2133–2156Publication Date (Web): March 05, 2004 (Article)
DOI: 10.1021/jm031089x
Novel 3-Oxa Lipoxin A4 Analogues with Enhanced Chemical and Metabolic Stability Have Anti-inflammatory Activity in Vivo
William J. Guilford, John G. Bauman, Werner Skuballa, Shawn Bauer, Guo Ping Wei, David Davey, Caralee Schaefer, Cornell Mallari, Jennifer Terkelsen, Jih-Lie Tseng, Jun Shen, Babu Subramanyam, Arndt J. Schottelius, and John F. Parkinson
pp 2157–2165Publication Date (Web): March 11, 2004 (Article)
DOI: 10.1021/jm030569l
Brief Articles
Macrocyclization in the Design of Non-Phosphorus-Containing Grb2 SH2 Domain-Binding Ligands
Zhen-Dan Shi, Chang-Qing Wei, Kyeong Lee, Hongpeng Liu, Manchao Zhang, Toshiyuki Araki, Lindsey R. Roberts, Karen M. Worthy, Robert J. Fisher, Benjamin G. Neel, James A. Kelley, Dajun Yang, and Terrence R. Burke, Jr.
pp 2166–2169Publication Date (Web): March 11, 2004 (Brief Article)
DOI: 10.1021/jm030510e
Additions and Corrections
Investigation of Neuraminidase-Substrate Recognition Using Molecular Dynamics and Free Energy Calculations.
Kevin M. Masukawa, Peter A. Kollman, and Irwin D. Kuntz:
p 2170Publication Date (Web): March 13, 2004 (Addition/Correction)
DOI: 10.1021/jm040021u