Table of Contents
August 25, 2005
Volume 48, Issue 17
Pages 5383-5612
About the Cover: Illustration of the binding mode of a biheteroaryl inhibitor to vascular endothelial growth factor receptor-2 (Kuo, G.-H.; et al. J. Med. Chem. 2005, 48, 1886-1900).
Perspective
Farnesoid X Receptor: From Structure to Potential Clinical Applications
Roberto Pellicciari, Gabriele Costantino, and Stefano Fiorucci
pp 5383–5403Publication Date (Web): August 02, 2005 (Perspective)
DOI: 10.1021/jm0582221
Hi-Res PDF Letters
Synthesis and Characterization of a Small, Membrane-Permeant, Caspase-Activatable Far-Red Fluorescent Peptide for Imaging Apoptosis
Kristin Bullok and David Piwnica-Worms
pp 5404–5407Publication Date (Web): August 04, 2005 (Letter)
DOI: 10.1021/jm050008p
A Molecular Target for Suppression of the Evolution of Antibiotic Resistance: Inhibition of the Escherichia coli RecA Protein by N6-(1-Naphthyl)-ADP
Andrew M. Lee, Christian T. Ross, Bu-Bing Zeng, and Scott F. Singleton
pp 5408–5411Publication Date (Web): July 29, 2005 (Letter)
DOI: 10.1021/jm050113z
Indolin-2-ones with High in Vivo Efficacy in a Model for Multiple Sclerosis
Laëtitia Bouérat, Jef Fensholdt, Xifu Liang, Sophie Havez, Simon F. Nielsen, Jens R. Hansen, Simon Bolvig, and Christina Andersson
pp 5412–5414Publication Date (Web): July 27, 2005 (Letter)
DOI: 10.1021/jm0504151
The Protein Farnesyltransferase Inhibitor Tipifarnib as a New Lead for the Development of Drugs against Chagas Disease
Oliver Hucke, Michael H. Gelb, Christophe L. M. J. Verlinde, and Frederick S. Buckner
pp 5415–5418Publication Date (Web): July 22, 2005 (Letter)
DOI: 10.1021/jm050441z
Discovery of Substituted Maleimides as Liver X Receptor Agonists and Determination of a Ligand-Bound Crystal Structure
Michael C. Jaye, John A. Krawiec, Nino Campobasso, Angela Smallwood, Chunyan Qiu, Quinn Lu, John J. Kerrigan, Maite De Los Frailes Alvaro, Bryan Laffitte, Wu-Schyong Liu, Joseph P. Marino, Jr., Craig R. Meyer, Jason A. Nichols, Derek J. Parks, Paloma Perez, Lea Sarov-Blat, Sheila D. Seepersaud, Klaudia M. Steplewski, Scott K. Thompson, Ping Wang, Mike A. Watson, Christine L. Webb, David Haigh, Justin A. Caravella, Colin H. Macphee, Timothy M. Willson, and Jon L. Collins
pp 5419–5422Publication Date (Web): August 04, 2005 (Letter)
DOI: 10.1021/jm050532w
Articles
Mapping Antimalarial Pharmacophores as a Useful Tool for the Rapid Discovery of Drugs Effective in Vivo: Design, Construction, Characterization, and Pharmacology of Metaquine
Michael J. Dascombe, Michael G. B. Drew, Harry Morris, Prapon Wilairat, Saranya Auparakkitanon, Wendy A. Moule, Said Alizadeh-Shekalgourabi, Philip G. Evans, Michael Lloyd, Anthony M. Dyas, Pamela Carr, and Fyaz M. D. Ismail
pp 5423–5436Publication Date (Web): July 26, 2005 (Article)
DOI: 10.1021/jm0408013
A Combination of Docking, QM/MM Methods, and MD Simulation for Binding Affinity Estimation of Metalloprotein Ligands
Akash Khandelwal, Viera Lukacova, Dogan Comez, Daniel M. Kroll, Soumyendu Raha, and Stefan Balaz
pp 5437–5447Publication Date (Web): July 26, 2005 (Article)
DOI: 10.1021/jm049050v
Virtual Screening of Biogenic Amine-Binding G-Protein Coupled Receptors: Comparative Evaluation of Protein- and Ligand-Based Virtual Screening Protocols
Andreas Evers, Gerhard Hessler, Hans Matter, and Thomas Klabunde
pp 5448–5465Publication Date (Web): July 26, 2005 (Article)
DOI: 10.1021/jm050090o
Improving Binding Mode Predictions by Docking into Protein-Specifically Adapted Potential Fields
Sebastian Radestock, Markus Böhm, and Holger Gohlke
pp 5466–5479Publication Date (Web): July 26, 2005 (Article)
DOI: 10.1021/jm050114r
Synthesis, DNA Affinity, and Antiprotozoal Activity of Fused Ring Dicationic Compounds and Their Prodrugs
Reem K. Arafa, Reto Brun, Tanja Wenzler, Farial A. Tanious, W. David Wilson, Chad E. Stephens, and David W. Boykin
pp 5480–5488Publication Date (Web): August 04, 2005 (Article)
DOI: 10.1021/jm058190h
Development of a Three-Dimensional Model for the N-Methyl-d-aspartate NR2A Subunit
Giovanni Grazioso, Loris Moretti, Leonardo Scapozza, Marco De Amici, and Carlo De Micheli
pp 5489–5494Publication Date (Web): August 04, 2005 (Article)
DOI: 10.1021/jm050174x
New 5-Hydroxytryptamine1A Receptor Ligands Containing a Norbornene Nucleus: Synthesis and in Vitro Pharmacological Evaluation
Ferdinando Fiorino, Elisa Perissutti, Beatrice Severino, Vincenzo Santagada, Donatella Cirillo, Sara Terracciano, Paola Massarelli, Giancarlo Bruni, Elga Collavoli, Christian Renner, and Giuseppe Caliendo
pp 5495–5503Publication Date (Web): August 04, 2005 (Article)
DOI: 10.1021/jm050246k
Design, Synthesis, and Antiviral Activity of 2‘-Deoxy-2‘-fluoro-2‘-C-methylcytidine, a Potent Inhibitor of Hepatitis C Virus Replication
Jeremy L. Clark, Laurent Hollecker, J. Christian Mason, Lieven J. Stuyver, Phillip M. Tharnish, Stefania Lostia, Tamara R. McBrayer, Raymond F. Schinazi, Kyoichi A. Watanabe, Michael J. Otto, Phillip A. Furman, Wojciech J. Stec, Steven E. Patterson, and Krzysztof W. Pankiewicz
pp 5504–5508Publication Date (Web): July 26, 2005 (Article)
DOI: 10.1021/jm0502788
Synthesis, Biological Evaluation, and Molecular Modeling Investigation of New Chiral Fibrates with PPARα and PPARγ Agonist Activity
Alessandra Pinelli, Cristina Godio, Antonio Laghezza, Nico Mitro, Giuseppe Fracchiolla, Vincenzo Tortorella, Antonio Lavecchia, Ettore Novellino, Jean-Charles Fruchart, Bart Staels, Maurizio Crestani, and Fulvio Loiodice
pp 5509–5519Publication Date (Web): August 04, 2005 (Article)
DOI: 10.1021/jm0502844
From Small Sweeteners to Sweet Proteins: Anatomy of the Binding Sites of the Human T1R2_T1R3 Receptor
Gabriella Morini, Angela Bassoli, and Piero A. Temussi
pp 5520–5529Publication Date (Web): August 04, 2005 (Article)
DOI: 10.1021/jm0503345
Structure-Based Optimization of Phenylbutyrate-Derived Histone Deacetylase Inhibitors
Qiang Lu, Da-Sheng Wang, Chang-Shi Chen, Yuan-Dong Hu, and Ching-Shih Chen
pp 5530–5535Publication Date (Web): July 13, 2005 (Article)
DOI: 10.1021/jm0503749
Structure of Aldehyde Reductase Holoenzyme in Complex with the Potent Aldose Reductase Inhibitor Fidarestat: Implications for Inhibitor Binding and Selectivity
Ossama El-Kabbani, Vincenzo Carbone, Connie Darmanin, Mitsuru Oka, Andre Mitschler, Alberto Podjarny, Clemens Schulze-Briese, and Roland P.-T. Chung
pp 5536–5542Publication Date (Web): July 27, 2005 (Article)
DOI: 10.1021/jm050412o
Inhibition of Carboxylesterases by Benzil (Diphenylethane-1,2-dione) and Heterocyclic Analogues Is Dependent upon the Aromaticity of the Ring and the Flexibility of the Dione Moiety
Janice L. Hyatt, Vanessa Stacy, Randy M. Wadkins, Kyoung Jin P. Yoon, Monika Wierdl, Carol C. Edwards, Matthias Zeller, Allen D. Hunter, Mary K. Danks, Guy Crundwell, and Philip M. Potter
pp 5543–5550Publication Date (Web): July 08, 2005 (Article)
DOI: 10.1021/jm0504196
Defunctionalized Lobeline Analogues: Structure−Activity of Novel Ligands for the Vesicular Monoamine Transporter
Guangrong Zheng, Linda P. Dwoskin, Agripina G. Deaciuc, Seth D. Norrholm, and Peter A. Crooks
pp 5551–5560Publication Date (Web): July 29, 2005 (Article)
DOI: 10.1021/jm0501228
QSAR Studies of Copper Azamacrocycles and Thiosemicarbazones: MM3 Parameter Development and Prediction of Biological Properties
Peter Wolohan, Jeongsoo Yoo, Michael J. Welch, and David E. Reichert
pp 5561–5569Publication Date (Web): July 23, 2005 (Article)
DOI: 10.1021/jm0501376
Design and Synthesis of a Series of Melamine-based Nitroheterocycles with Activity against Trypanosomatid Parasites
Alessandro Baliani, Gorka Jimenez Bueno, Mhairi L. Stewart, Vanessa Yardley, Reto Brun, Michael P. Barrett, and Ian H. Gilbert
pp 5570–5579Publication Date (Web): July 29, 2005 (Article)
DOI: 10.1021/jm050177+
Full Text HTMLNovel 8-Substituted Dipyridodiazepinone Inhibitors with a Broad-Spectrum of Activity against HIV-1 Strains Resistant to Non-nucleoside Reverse Transcriptase Inhibitors
Jeff A. O'Meara, Christiane Yoakim, Pierre R. Bonneau, Michael Bös, Michael G. Cordingley, Robert Déziel, Louise Doyon, Jianmin Duan, Michel Garneau, Ingrid Guse, Serge Landry, Eric Malenfant, Julie Naud, William W. Ogilvie, Bounkham Thavonekham, and Bruno Simoneau
pp 5580–5588Publication Date (Web): July 29, 2005 (Article)
DOI: 10.1021/jm050255t
Novel 2,3-Dihydrobenzofuran-2-carboxylic Acids: Highly Potent and Subtype-Selective PPARα Agonists with Potent Hypolipidemic Activity
Guo Q. Shi, James F. Dropinski, Yong Zhang, Conrad Santini, Soumya P. Sahoo, Joel P. Berger, Karen L. MacNaul, Gaochao Zhou, Arun Agrawal, Raul Alvaro, Tian-quan Cai, Melba Hernandez, Samuel D. Wright, David E. Moller, James V. Heck, and Peter T. Meinke
pp 5589–5599Publication Date (Web): July 14, 2005 (Article)
DOI: 10.1021/jm050373g
Brief Articles
2-[(Carboxymethyl)sulfanyl]-4-oxo-4-arylbutanoic Acids Selectively Suppressed Proliferation of Neoplastic Human HeLa Cells. A SAR/QSAR Study
Branko J. Drakulić, Zorica D. Juranić, Tatjana P. Stanojković, and Ivan O. Juranić
pp 5600–5603Publication Date (Web): July 16, 2005 (Brief Article)
DOI: 10.1021/jm0502889
Antitumor Activity of New Substituted 3-(5-Imidazo[2,1-b]thiazolylmethylene)-2-indolinones and Study of Their Effect on the Cell Cycle1
Aldo Andreani, Massimiliano Granaiola, Alberto Leoni, Alessandra Locatelli, Rita Morigi, Mirella Rambaldi, Vida Garaliene, William Welsh, Sonia Arora, Giovanna Farruggia, and Lanfranco Masotti
pp 5604–5607Publication Date (Web): July 28, 2005 (Brief Article)
DOI: 10.1021/jm050353e
From the Potent and Selective μ Opioid Receptor Agonist H-Dmt-d-Arg-Phe-Lys-NH2 to the Potent δ Antagonist H-Dmt-Tic-Phe-Lys(Z)-OH
Gianfranco Balboni, Maria Teresa Cocco, Severo Salvadori, Romeo Romagnoli, Yusuke Sasaki, Yoshio Okada, Sharon D. Bryant, Yunden Jinsmaa, and Lawrence H. Lazarus
pp 5608–5611Publication Date (Web): July 30, 2005 (Brief Article)
DOI: 10.1021/jm0504959
Book Reviews
Peptide Synthesis and Applications Edited by John Howl. Humana Press, Totowa, NJ. 2005. x + 262 pp. 16 × 23.5 cm. ISBN 1-588-29-317-3. $99.50.
D. Eric Walters
p 5612Publication Date (Web): July 19, 2005 (Book Review)
DOI: 10.1021/jm058244n