Table of Contents
February 10, 2005
Volume 48, Issue 3
Pages 655-896
About the Cover: InInteraction 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).
Letters
Bis-huperzine B: Highly Potent and Selective Acetylcholinesterase Inhibitors
Song Feng, Zhifei Wang, Xuchang He, Suxin Zheng, Yu Xia, Hualiang Jiang, Xican Tang, and Donglu Bai
pp 655–657Publication Date (Web): January 07, 2005 (Letter)
DOI: 10.1021/jm0496178
Hi-Res PDFStructure of Human Cytidine Deaminase Bound to a Potent Inhibitor
Sang J. Chung, J. Christopher Fromme, and Gregory L. Verdine
pp 658–660Publication Date (Web): January 07, 2005 (Letter)
DOI: 10.1021/jm0496279
Judging the Significance of Multiple Linear Regression Models
David J. Livingstone and David W. Salt
pp 661–663Publication Date (Web): January 14, 2005 (Letter)
DOI: 10.1021/jm049111p
Articles
Alkylamino Derivatives of 4-Aminomethylpyridine as Inhibitors of Copper-Containing Amine Oxidases
Vincenzo Bertini, Franca Buffoni, Giovanni Ignesti, Nevio Picci, Sonia Trombino, Francesca Iemma, Silvana Alfei, Marco Pocci, Francesco Lucchesini, and Angela De Munno
pp 664–670Publication Date (Web): January 11, 2005 (Article)
DOI: 10.1021/jm0408316
Mechanism of CDK5/p25 Binding by CDK Inhibitors
Marina Mapelli, Lucia Massimiliano, Claudia Crovace, Markus A. Seeliger, Li-Huei Tsai, Laurent Meijer, and Andrea Musacchio
pp 671–679Publication Date (Web): January 06, 2005 (Article)
DOI: 10.1021/jm049323m
Dopamine D1/D5 Receptor Antagonists with Improved Pharmacokinetics: Design, Synthesis, and Biological Evaluation of Phenol Bioisosteric Analogues of Benzazepine D1/D5 Antagonists
Wen-Lian Wu, Duane A. Burnett, Richard Spring, William J. Greenlee, Michelle Smith, Leonard Favreau, Ahmad Fawzi, Hongtao Zhang, and Jean E. Lachowicz
pp 680–693Publication Date (Web): January 13, 2005 (Article)
DOI: 10.1021/jm030614p
Modeling the Similarity and Divergence of Dopamine D2-like Receptors and Identification of Validated Ligand−Receptor Complexes
Frank Boeckler, Harald Lanig, and Peter Gmeiner
pp 694–709Publication Date (Web): January 08, 2005 (Article)
DOI: 10.1021/jm049612a
Synthesis and Biological Testing of Purine Derivatives as Potential ATP-Competitive Kinase Inhibitors
Stefan A. Laufer, David M. Domeyer, Thomas R. F. Scior, Wolfgang Albrecht, and Dominik R. J. Hauser
pp 710–722Publication Date (Web): January 15, 2005 (Article)
DOI: 10.1021/jm0408767
Heterocyclic and Phenyl Double-Bond-Locked Combretastatin Analogues Possessing Potent Apoptosis-Inducing Activity in HL60 and in MDR Cell Lines
Daniele Simoni, Giuseppina Grisolia, Giuseppe Giannini, Marinella Roberti, Riccardo Rondanin, Laura Piccagli, Riccardo Baruchello, Marcello Rossi, Romeo Romagnoli, Francesco Paolo Invidiata, Stefania Grimaudo, M. Katherine Jung, Ernest Hamel, Nicola Gebbia, Lucia Crosta, Vincenzo Abbadessa, Antonietta Di Cristina, Luisa Dusonchet, Maria Meli, and Manlio Tolomeo
pp 723–736Publication Date (Web): January 12, 2005 (Article)
DOI: 10.1021/jm049622b
Crystal Structure of a Human Cyclin-Dependent Kinase 6 Complex with a Flavonol Inhibitor, Fisetin
Heshu Lu, Debbie J. Chang, Blandine Baratte, Laurent Meijer, and Ursula Schulze-Gahmen
pp 737–743Publication Date (Web): January 20, 2005 (Article)
DOI: 10.1021/jm049353p
Novel Transient Receptor Potential Vanilloid 1 Receptor Antagonists for the Treatment of Pain: Structure−Activity Relationships for Ureas with Quinoline, Isoquinoline, Quinazoline, Phthalazine, Quinoxaline, and Cinnoline Moieties
Arthur Gomtsyan, Erol K. Bayburt, Robert G. Schmidt, Guo Zhu Zheng, Richard J. Perner, Stanley Didomenico, John R. Koenig, Sean Turner, Tammie Jinkerson, Irene Drizin, Steven M. Hannick, Bryan S. Macri, Heath A. McDonald, Prisca Honore, Carol T. Wismer, Kennan C. Marsh, Jill Wetter, Kent D. Stewart, Tetsuro Oie, Michael F. Jarvis, Carol S. Surowy, Connie R. Faltynek, and Chih-Hung Lee
pp 744–752Publication Date (Web): January 11, 2005 (Article)
DOI: 10.1021/jm0492958
Surface Plasmon Resonance Thermodynamic and Kinetic Analysis as a Strategic Tool in Drug Design. Distinct Ways for Phosphopeptides to Plug into Src- and Grb2 SH2 Domains
Nico J. de Mol, Frank J. Dekker, Isabel Broutin, Marcel J. E. Fischer, and Rob M. J. Liskamp
pp 753–763Publication Date (Web): January 13, 2005 (Article)
DOI: 10.1021/jm049359e
Design and Synthesis of Conformationally Constrained Grb2 SH2 Domain Binding Peptides Employing α-Methylphenylalanyl Based Phosphotyrosyl Mimetics
Shinya Oishi, Rajeshri G. Karki, Sang-Uk Kang, Xiangzhu Wang, Karen M. Worthy, Lakshman K. Bindu, Marc C. Nicklaus, Robert J. Fisher, and Terrence R. Burke Jr.
pp 764–772Publication Date (Web): January 19, 2005 (Article)
DOI: 10.1021/jm0492709
Homology Modeling Studies on Human Galactose-1-phosphate Uridylyltransferase and on Its Galactosemia-Related Mutant Q188R Provide an Explanation of Molecular Effects of the Mutation on Homo- and Heterodimers
Anna Marabotti and Angelo M. Facchiano
pp 773–779Publication Date (Web): January 14, 2005 (Article)
DOI: 10.1021/jm049731q
Molecular Dynamics Simulations of the TEM-1 β-Lactamase Complexed with Cephalothin
Natalia Díaz, Dimas Suárez, Kenneth M. Merz, Jr., and Tomás L. Sordo
pp 780–791Publication Date (Web): January 14, 2005 (Article)
DOI: 10.1021/jm0493663
5-(2-Aminoethyl)dibenzo[c,h][1,6]naphthyridin-6-ones: Variation of N-Alkyl Substituents Modulates Sensitivity to Efflux Transporters Associated with Multidrug Resistance
Alexander L. Ruchelman, Peter J. Houghton, Nai Zhou, Angela Liu, Leroy F. Liu, and Edmond J. LaVoie
pp 792–804Publication Date (Web): January 15, 2005 (Article)
DOI: 10.1021/jm049447z
In Silico Prediction of Membrane Permeability from Calculated Molecular Parameters
Hanne H. F. Refsgaard, Berith F. Jensen, Per B. Brockhoff, Sren B. Padkjr, Mette Guldbrandt, and Michael S. Christensen
pp 805–811Publication Date (Web): January 14, 2005 (Article)
DOI: 10.1021/jm049661n
Design, Syntheses, and Transfection Biology of Novel Non-Cholesterol-Based Guanidinylated Cationic Lipids
Joyeeta Sen and Arabinda Chaudhuri
pp 812–820Publication Date (Web): January 08, 2005 (Article)
DOI: 10.1021/jm049417w
Partition-Variant Desferrithiocin Analogues: Organ Targeting and Increased Iron Clearance1
Raymond J. Bergeron, Jan Wiegand, James S. McManis, William R. Weimar, Jeong-Hyun Park, Eileen Eiler-McManis, Jennifer Bergeron, and Gary M. Brittenham
pp 821–831Publication Date (Web): January 14, 2005 (Article)
DOI: 10.1021/jm049306x
Chemical Modification of Paclitaxel (Taxol) Reduces P-Glycoprotein Interactions and Increases Permeation across the Blood−Brain Barrier in Vitro and in Situ
Antonie Rice, Yanbin Liu, Mary Lou Michaelis, Richard H. Himes, Gunda I. Georg, and Kenneth L. Audus
pp 832–838Publication Date (Web): January 05, 2005 (Article)
DOI: 10.1021/jm040114b
Novel Heterocyclic Trans Olefin Analogues of N-{4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl}arylcarboxamides as Selective Probes with High Affinity for the Dopamine D3 Receptor
Peter Grundt, Erin E. Carlson, Jianjing Cao, Christina J. Bennett, Elizabeth McElveen, Michelle Taylor, Robert R. Luedtke, and Amy Hauck Newman
pp 839–848Publication Date (Web): January 12, 2005 (Article)
DOI: 10.1021/jm049465g
Identification of a Novel Cardenolide (2‘ ‘-Oxovoruscharin) from Calotropis procera and the Hemisynthesis of Novel Derivatives Displaying Potent in Vitro Antitumor Activities and High in Vivo Tolerance: Structure−Activity Relationship Analyses
Eric Van Quaquebeke, Gentiane Simon, Aurélie André, Janique Dewelle, Mohamed El Yazidi, Frederic Bruyneel, Jerome Tuti, Odile Nacoulma, Pierre Guissou, Christine Decaestecker, Jean-Claude Braekman, Robert Kiss, and Francis Darro
pp 849–856Publication Date (Web): January 19, 2005 (Article)
DOI: 10.1021/jm049405a
Cytotoxicity of cis-Platinum(II) Conjugate Models. The Effect of Chelating Arms and Leaving Groups on Cytotoxicity: A Quantitative Structure−Activity Relationship Approach
Elena Monti, Marzia Gariboldi, Alessandro Maiocchi, Emilio Marengo, Claudio Cassino, Elisabetta Gabano, and Domenico Osella
pp 857–866Publication Date (Web): January 14, 2005 (Article)
DOI: 10.1021/jm049508t
Identification of 3-(Acylamino)azepan-2-ones as Stable Broad-Spectrum Chemokine Inhibitors Resistant to Metabolism in Vivo
David J. Fox, Jill Reckless, Sibylle M. Wilbert, Ian Greig, Stuart Warren, and David J. Grainger
pp 867–874Publication Date (Web): January 12, 2005 (Article)
DOI: 10.1021/jm049365a
Synthesis and Immunological Properties of N-Modified GM3 Antigens as Therapeutic Cancer Vaccines
Yanbin Pan, Peter Chefalo, Nancy Nagy, Clifford Harding, and Zhongwu Guo
pp 875–883Publication Date (Web): January 13, 2005 (Article)
DOI: 10.1021/jm0494422
Brief Articles
Synthesis, X-ray Crystal Structure Study, and Cytostatic and Antiviral Evaluation of the Novel Cycloalkyl-N-aryl-hydroxamic Acids
Monika Barbarić, Stanko Uršić, Viktor Pilepić, Branka Zorc, Antonija Hergold-Brundić, Ante Nagl, Mira Grdiša, Krešimir Pavelić, Robert Snoeck, Graciela Andrei, Jan Balzarini, Erik De Clercq, and Mladen Mintas
pp 884–887Publication Date (Web): January 14, 2005 (Brief Article)
DOI: 10.1021/jm040878r
Imidazolidin-4-one Derivatives of Primaquine as Novel Transmission-Blocking Antimalarials
Maria João Araújo, Joana Bom, Rita Capela, Catarina Casimiro, Paula Chambel, Paula Gomes, Jim Iley, Francisca Lopes, José Morais, Rui Moreira, Eliandre de Oliveira, Virgílio do Rosário, and Nuno Vale
pp 888–892Publication Date (Web): January 14, 2005 (Brief Article)
DOI: 10.1021/jm0494624
Carbocyclic[g]indole Inhibitors of Human Nonpancreatic s-PLA2
J. Scott Sawyer, Douglas W. Beight, Edward C. R. Smith, David W. Snyder, Marcia K. Chastain, Richard L. Tielking, Lawrence W. Hartley, and Donald G. Carlson
pp 893–896Publication Date (Web): January 19, 2005 (Brief Article)
DOI: 10.1021/jm0401309