Table of Contents
June 16, 2005
Volume 48, Issue 12
Pages 3937-4182
About the Cover: IInteraction 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
Modification of the Estrogenic Properties of Diphenols by the Incorporation of Ferrocene. Generation of Antiproliferative Effects in Vitro
Anne Vessières, Siden Top, Pascal Pigeon, Elizabeth Hillard, Leila Boubeker, Daniela Spera, and Gérard Jaouen
pp 3937–3940Publication Date (Web): May 14, 2005 (Letter)
DOI: 10.1021/jm050251o
Hi-Res PDFPotent Estrogen Receptor Ligands Based on Bisphenols with a Globular Hydrophobic Core
Yasuyuki Endo, Tomohiro Yoshimi, Kiminori Ohta, Tomoharu Suzuki, and Shigeru Ohta
pp 3941–3944Publication Date (Web): May 12, 2005 (Letter)
DOI: 10.1021/jm050195r
Examination of Phosphoryl-Mimicking Functionalities within a Macrocyclic Grb2 SH2 Domain-Binding Platform
Sang-Uk Kang, Zhen-Dan Shi, Karen M. Worthy, Lakshman K. Bindu, Pathirage G. Dharmawardana, Sarah J. Choyke, Donald P. Bottaro, Robert J. Fisher, and Terrence R. Burke, Jr.
pp 3945–3948Publication Date (Web): May 13, 2005 (Letter)
DOI: 10.1021/jm050059m
Anti-HIV Activity of (−)-(2R,4R)-1- (2-Hydroxymethyl-1,3-dioxolan-4-yl)- thymine against Drug-Resistant HIV-1 Mutants and Studies of Its Molecular Mechanism
Chung K. Chu, Vikas Yadav, Youhoon H. Chong, and Raymond F. Schinazi
pp 3949–3952Publication Date (Web): May 19, 2005 (Letter)
DOI: 10.1021/jm050060l
Articles
ERβ Ligands. 3. Exploiting Two Binding Orientations of the 2-Phenylnaphthalene Scaffold To Achieve ERβ Selectivity
Richard E. Mewshaw, Richard J. Edsall, Jr., Cuijian Yang, Eric S. Manas, Zhang B. Xu, Ruth A. Henderson, James C. Keith, Jr., and Heather A. Harris
pp 3953–3979Publication Date (Web): May 24, 2005 (Article)
DOI: 10.1021/jm058173s
Structure-Based Characterization and Optimization of Novel Hydrophobic Binding Interactions in a Series of Pyrrolidine Influenza Neuraminidase Inhibitors
Clarence J. Maring, Vincent S. Stoll, Chen Zhao, Minghua Sun, Allan C. Krueger, Kent D. Stewart, Darold L. Madigan, Warren M. Kati, Yibo Xu, Robert J. Carrick, Debra A. Montgomery, Anita Kempf-Grote, Kennan C. Marsh, Akhteruzzaman Molla, Kevin R. Steffy, Hing L. Sham, W. Graeme Laver, Yu-gui Gu, Dale J. Kempf, and William E. Kohlbrenner
pp 3980–3990Publication Date (Web): May 19, 2005 (Article)
DOI: 10.1021/jm049276y
Design, Synthesis, and Evaluation of Orally Active 4-(2,4-Difluoro-5-(methoxycarbamoyl)phenylamino)pyrrolo[2,1-f][1,2,4]triazines as Dual Vascular Endothelial Growth Factor Receptor-2 and Fibroblast Growth Factor Receptor-1 Inhibitors
Robert M. Borzilleri, Xiaoping Zheng, Ligang Qian, Christopher Ellis, Zhen-wei Cai, Barri S. Wautlet, Steve Mortillo, Robert Jeyaseelan, Sr., Daniel W. Kukral, Aberra Fura, Amrita Kamath, Viral Vyas, John S. Tokarski, Joel C. Barrish, John T. Hunt, Louis J. Lombardo, Joseph Fargnoli, and Rajeev S. Bhide
pp 3991–4008Publication Date (Web): May 17, 2005 (Article)
DOI: 10.1021/jm0501275
New Selective AT2 Receptor Ligands Encompassing a γ-Turn Mimetic Replacing the Amino Acid Residues 4−5 of Angiotensin II Act as Agonists
Ulrika Rosenström, Christian Sköld, Bianca Plouffe, Hélène Beaudry, Gunnar Lindeberg, Milad Botros, Fred Nyberg, Gunter Wolf, Anders Karlén, Nicole Gallo-Payet, and Anders Hallberg
pp 4009–4024Publication Date (Web): May 13, 2005 (Article)
DOI: 10.1021/jm0491492
Replacement of Phe6, Phe7, and Phe11 of d-Trp8-Somatostatin-14 with l-Pyrazinylalanine. Predicted and Observed Effects on Binding Affinities at hSST2 and hSST4. An Unexpected Effect of the Chirality of Trp8 on NMR Spectra in Methanol
Santhosh Neelamkavil, Byron Arison, Elizabeth Birzin, Jin-Jye Feng, Kuo-Hsin Chen, Atsui Lin, Fong-Chi Cheng, Laurie Taylor, Edward R Thornton, Amos B. Smith, III, and Ralph Hirschmann
pp 4025–4030Publication Date (Web): May 21, 2005 (Article)
DOI: 10.1021/jm058184l
A Naive Bayes Classifier for Prediction of Multidrug Resistance Reversal Activity on the Basis of Atom Typing
Hongmao Sun
pp 4031–4039Publication Date (Web): May 07, 2005 (Article)
DOI: 10.1021/jm050180t
Validation and Use of the MM-PBSA Approach for Drug Discovery
Bernd Kuhn, Paul Gerber, Tanja Schulz-Gasch, and Martin Stahl
pp 4040–4048Publication Date (Web): May 10, 2005 (Article)
DOI: 10.1021/jm049081q
Analysis of Structure−Activity Relationships for MT2 Selective Antagonists by Melatonin MT1 and MT2 Receptor Models
Silvia Rivara, Simone Lorenzi, Marco Mor, Pier Vincenzo Plazzi, Gilberto Spadoni, Annalida Bedini, and Giorgio Tarzia
pp 4049–4060Publication Date (Web): May 21, 2005 (Article)
DOI: 10.1021/jm048956y
Novel Nonsteroidal Antiinflammatory Drugs Possessing a Nitric Oxide Donor Diazen-1-ium-1,2-diolate Moiety: Design, Synthesis, Biological Evaluation, and Nitric Oxide Release Studies
Carlos Velázquez, P. N. Praveen Rao, and Edward E. Knaus
pp 4061–4067Publication Date (Web): May 21, 2005 (Article)
DOI: 10.1021/jm050211k
Synthesis, Biological Evaluation, and Three-Dimensional Quantitative Structure−Activity Relationship Study of Small-Molecule Positive Modulators of Adrenomedullin
Mario A. García, Sonsoles Martín-Santamaría, Mónica Cacho, Fernando Moreno de la Llave, Miguel Julián, Alfredo Martínez, Beatriz de Pascual-Teresa, and Ana Ramos
pp 4068–4075Publication Date (Web): May 24, 2005 (Article)
DOI: 10.1021/jm050021+
Full Text HTMLBRUTUS: Optimization of a Grid-Based Similarity Function for Rigid-Body Molecular Superposition. 1. Alignment and Virtual Screening Applications
Anu J. Tervo, Toni Rönkkö, Tommi H. Nyrönen, and Antti Poso
pp 4076–4086Publication Date (Web): May 18, 2005 (Article)
DOI: 10.1021/jm049123a
Antineoplastic Agents. 445. Synthesis and Evaluation of Structural Modifications of (Z)- and (E)-Combretastatin A-41
George R. Pettit, Monte R. Rhodes, Delbert L. Herald, Ernest Hamel, Jean M. Schmidt, and Robin K. Pettit
pp 4087–4099Publication Date (Web): May 24, 2005 (Article)
DOI: 10.1021/jm0205797
Potent, Orally Active Corticotropin-Releasing Factor Receptor-1 Antagonists Containing a Tricyclic Pyrrolopyridine or Pyrazolopyridine Core
Brian Dyck, Dimitri E. Grigoriadis, Raymond S. Gross, Zhiqiang Guo, Mustapha Haddach, Dragan Marinkovic, James R. McCarthy, Manisha Moorjani, Collin F. Regan, John Saunders, Michael K. Schwaebe, Tomas Szabo, John P. Williams, Xiaohu Zhang, Haig Bozigian, and Ta Kung Chen
pp 4100–4110Publication Date (Web): May 06, 2005 (Article)
DOI: 10.1021/jm050070m
The PDBbind Database: Methodologies and Updates
Renxiao Wang, Xueliang Fang, Yipin Lu, Chao-Yie Yang, and Shaomeng Wang
pp 4111–4119Publication Date (Web): May 24, 2005 (Article)
DOI: 10.1021/jm048957q
Polyamine-Vectored Iron Chelators: The Role of Charge
Raymond J. Bergeron, Neelam Bharti, Jan Wiegand, James S. McManis, Hua Yao, and Laszlo Prokai
pp 4120–4137Publication Date (Web): May 17, 2005 (Article)
DOI: 10.1021/jm048974f
Rapid Computational Identification of the Targets of Protein Kinase Inhibitors
William M. Rockey and Adrian H. Elcock
pp 4138–4152Publication Date (Web): May 12, 2005 (Article)
DOI: 10.1021/jm049461b
Radiosynthesis and Evaluation of [11C]-(+)-4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol as a Potential Radiotracer for in Vivo Imaging of the Dopamine D2 High-Affinity State with Positron Emission Tomography
Alan A. Wilson, Patrick McCormick, Shitij Kapur, Matthaeus Willeit, Armando Garcia, Doug Hussey, Sylvain Houle, Philip Seeman, and Nathalie Ginovart
pp 4153–4160Publication Date (Web): May 19, 2005 (Article)
DOI: 10.1021/jm050155n
In Vitro and in Vivo Evaluation of Ruthenium(II)−Arene PTA Complexes
Claudine Scolaro, Alberta Bergamo, Laura Brescacin, Riccarda Delfino, Moreno Cocchietto, Gábor Laurenczy, Tilmann J. Geldbach, Gianni Sava, and Paul J. Dyson
pp 4161–4171Publication Date (Web): May 21, 2005 (Article)
DOI: 10.1021/jm050015d
Brief Articles
Anesthetic Potency of Two Novel Synthetic Polyhydric Alkanols Longer than the n-Alkanol Cutoff: Evidence for a Bilayer-Mediated Mechanism of Anesthesia?
Justin T. Mohr, Gordon W. Gribble, Susan S. Lin, Roderic G. Eckenhoff, and Robert S. Cantor
pp 4172–4176Publication Date (Web): April 30, 2005 (Brief Article)
DOI: 10.1021/jm049459k
Cyclic ADP-Ribose Analogues Containing the Methylenebisphosphonate Linkage: Effect of Pyrophosphate Modifications on Ca2+ Release Activity
Libo Xu, Timothy F. Walseth, and James T. Slama
pp 4177–4181Publication Date (Web): May 19, 2005 (Brief Article)
DOI: 10.1021/jm049469l
Book Reviews
Handbook of Biotransformations of Aromatic Compounds By Brian L. Goodwin. CRC Press, Boca Raton, FL. 2005. xiii + 2205 pp. 22 × 28.5 cm. ISBN 0-415-27176-2. $450.00.
Horacio F. Olivo
p 4182Publication Date (Web): May 10, 2005 (Book Review)
DOI: 10.1021/jm058217x