Table of Contents
June 2, 2005
Volume 48, Issue 11
Pages 3663-3936
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
Dopamine D3 Receptor Partial Agonists and Antagonists as Potential Drug Abuse Therapeutic Agents
Amy Hauck Newman, Peter Grundt, and Michael A. Nader
pp 3663–3679Publication Date (Web): April 21, 2005 (Perspective)
DOI: 10.1021/jm040190e
Hi-Res PDF Letters
Synthesis and Structure−Activity Relationship of 4-Substituted 2-(2-Acetyloxyethyl)-8-(morpholine- 4-sulfonyl)pyrrolo[3,4-c]quinoline- 1,3-diones as Potent Caspase-3 Inhibitors
Dmitri V. Kravchenko, Yulia A. Kuzovkova, Volodymyr M. Kysil, Sergey E. Tkachenko, Sergey Maliarchouk, Ilya M. Okun, Konstantin V. Balakin, and Alexandre V. Ivachtchenko
pp 3680–3683Publication Date (Web): April 29, 2005 (Letter)
DOI: 10.1021/jm048987t
Structure−Activity Relationship Studies of Salinosporamide A (NPI-0052), a Novel Marine Derived Proteasome Inhibitor
Venkat R. Macherla, Scott S. Mitchell, Rama Rao Manam, Katherine A. Reed, Ta-Hsiang Chao, Benjamin Nicholson, Gordafaried Deyanat-Yazdi, Bao Mai, Paul R. Jensen, William F. Fenical, Saskia T. C. Neuteboom, Kin S. Lam, Michael A. Palladino, and Barbara C. M. Potts
pp 3684–3687Publication Date (Web): May 05, 2005 (Letter)
DOI: 10.1021/jm048995+
Full Text HTMLSynthetic Iminosugar Derivatives as New Potential Immunosuppressive Agents
Xin-Shan Ye, Fang Sun, Min Liu, Qin Li, Yuhang Wang, Guisheng Zhang, Li-He Zhang, and Xiao-Lian Zhang
pp 3688–3691Publication Date (Web): May 04, 2005 (Letter)
DOI: 10.1021/jm050169t
Methyl Pyropheophorbide-a Analogues: Potential Fluorescent Probes for the Peripheral-Type Benzodiazepine Receptor. Effect of Central Metal in Photosensitizing Efficacy
Yihui Chen, Xiang Zheng, Mahabeer P. Dobhal, Amy Gryshuk, Janet Morgan, Thomas J. Dougherty, Allan Oseroff, and Ravindra K. Pandey
pp 3692–3695Publication Date (Web): May 10, 2005 (Letter)
DOI: 10.1021/jm050039k
Fancy Bioisosteres: Metallocene-Derived G-Protein-Coupled Receptor Ligands with Subnanomolar Binding Affinity and Novel Selectivity Profiles
Karin Schlotter, Frank Boeckler, Harald Hübner, and Peter Gmeiner
pp 3696–3699Publication Date (Web): April 29, 2005 (Letter)
DOI: 10.1021/jm050170s
Combining Protein Modeling and 6D-QSAR. Simulating the Binding of Structurally Diverse Ligands to the Estrogen Receptor
Angelo Vedani, Max Dobler, and Markus A. Lill
pp 3700–3703Publication Date (Web): May 03, 2005 (Letter)
DOI: 10.1021/jm050185q
Articles
Protein Farnesyltransferase Inhibitors Exhibit Potent Antimalarial Activity
Laxman Nallan, Kevin D. Bauer, Pravin Bendale, Kasey Rivas, Kohei Yokoyama, Carolyn P. Hornéy, Prakash Rao Pendyala, David Floyd, Louis J. Lombardo, David K. Williams, Andrew Hamilton, Said Sebti, William T. Windsor, Patricia C. Weber, Frederick S. Buckner, Debopam Chakrabarti, Michael H. Gelb, and Wesley C. Van Voorhis
pp 3704–3713Publication Date (Web): May 05, 2005 (Article)
DOI: 10.1021/jm0491039
Decoys for Docking
Alan P. Graves, Ruth Brenk, and Brian K. Shoichet
pp 3714–3728Publication Date (Web): May 07, 2005 (Article)
DOI: 10.1021/jm0491187
Targeting and Inhibition of Cell Growth by an Engineered Dendritic Nanodevice
Thommey P. Thomas, Istvan J. Majoros, Alina Kotlyar, Jolanta F. Kukowska-Latallo, Anna Bielinska, Andrzej Myc, and James R. Baker, Jr.
pp 3729–3735Publication Date (Web): April 23, 2005 (Article)
DOI: 10.1021/jm040187v
Synthesis, Antiviral Activity, and Mechanism of Drug Resistance of d- and l-2‘,3‘-Didehydro-2‘,3‘-dideoxy-2‘-fluorocarbocyclic Nucleosides
Jianing Wang, Yunho Jin, Kimberly L. Rapp, Matthew Bennett, Raymond F. Schinazi, and Chung K. Chu
pp 3736–3748Publication Date (Web): May 03, 2005 (Article)
DOI: 10.1021/jm050096d
Virtual Screening for β-Secretase (BACE1) Inhibitors Reveals the Importance of Protonation States at Asp32 and Asp228
Tímea Polgár and György M. Keserü
pp 3749–3755Publication Date (Web): May 04, 2005 (Article)
DOI: 10.1021/jm049133b
Comparison of Ligand-Based and Structure-Based 3D-QSAR Approaches: A Case Study on (Aryl-)Bridged 2-Aminobenzonitriles Inhibiting HIV-1 Reverse Transcriptase
Simone Sciabola, Emanuele Carosati, Massimo Baroni, and Raimund Mannhold
pp 3756–3767Publication Date (Web): May 05, 2005 (Article)
DOI: 10.1021/jm049162m
Transmembrane Inhibitors of P-Glycoprotein, an ABC Transporter
Nadya I. Tarasova, Rishi Seth, Sergey G. Tarasov, Teresa Kosakowska-Cholody, Christine A. Hrycyna, Michael M. Gottesman, and Christopher J. Michejda
pp 3768–3775Publication Date (Web): May 05, 2005 (Article)
DOI: 10.1021/jm049065t
Synthesis, Modeling, and In Vitro Activity of (3‘S)-epi-K-252a Analogues. Elucidating the Stereochemical Requirements of the 3‘-Sugar Alcohol on trkA Tyrosine Kinase Activity
Diane E. Gingrich, Shi X. Yang, George W. Gessner, Thelma S. Angeles, and Robert L. Hudkins
pp 3776–3783Publication Date (Web): May 03, 2005 (Article)
DOI: 10.1021/jm040178m
In Vitro Gene Transfer Efficacies of N,N-Dialkylpyrrolidinium Chlorides: A Structure−Activity Investigation
Bharat Kumar Majeti, Priya Prakash Karmali, B. Surendar Reddy, and Arabinda Chaudhuri
pp 3784–3795Publication Date (Web): April 30, 2005 (Article)
DOI: 10.1021/jm050128x
Molecular Determinants of Topoisomerase I Poisoning by Lamellarins: Comparison with Camptothecin and Structure−Activity Relationships
Esther Marco, William Laine, Christelle Tardy, Amélie Lansiaux, Masatomo Iwao, Fumito Ishibashi, Christian Bailly, and Federico Gago
pp 3796–3807Publication Date (Web): May 03, 2005 (Article)
DOI: 10.1021/jm049060w
Predictive Three-Dimensional Quantitative Structure−Activity Relationship of Cytochrome P450 1A2 Inhibitors
Laura E. Korhonen, Minna Rahnasto, Niina J. Mähönen, Carsten Wittekindt, Antti Poso, Risto O. Juvonen, and Hannu Raunio
pp 3808–3815Publication Date (Web): May 05, 2005 (Article)
DOI: 10.1021/jm0489713
Design of Small-Sized Libraries by Combinatorial Assembly of Linkers and Functional Groups to a Given Scaffold: Application to the Structure-Based Optimization of a Phosphodiesterase 4 Inhibitor
Mireille Krier, João X. de Araújo-Júnior, Martine Schmitt, Jérôme Duranton, Hélène Justiano-Basaran, Claire Lugnier, Jean-Jacques Bourguignon, and Didier Rognan
pp 3816–3822Publication Date (Web): May 07, 2005 (Article)
DOI: 10.1021/jm050063y
Synthesis and Antibacterial Properties of Novel Hydrolyzable Cationic Amphiphiles. Incorporation of Multiple Head Groups Leads to Impressive Antibacterial Activity
Jayanta Haldar, Paturu Kondaiah, and Santanu Bhattacharya
pp 3823–3831Publication Date (Web): May 06, 2005 (Article)
DOI: 10.1021/jm049106l
Synthesis and Biological Evaluation of Dihydromotuporamine Derivatives in Cells Containing Active Polyamine Transporters
Navneet Kaur, Jean-Guy Delcros, Bénédicte Martin, and Otto Phanstiel, IV
pp 3832–3839Publication Date (Web): May 03, 2005 (Article)
DOI: 10.1021/jm0491288
Design, Synthesis and Antiviral Activity of Novel 4,5-Disubstituted 7-(β-d-Ribofuranosyl)pyrrolo[2,3-d][1,2,3]triazines and the Novel 3-Amino-5-methyl-1-(β-d-ribofuranosyl)- and 3-Amino-5-methyl-1-(2-deoxy-β-d-ribofuranosyl)-1,5-dihydro-1,4,5,6,7,8-hexaazaacenaphthylene as Analogues of Triciribine
Michael T. Migawa, John C. Drach, and Leroy B. Townsend
pp 3840–3851Publication Date (Web): May 04, 2005 (Article)
DOI: 10.1021/jm0402014
Synthesis and Monoamine Transporter Binding Properties of 3α-(Substituted phenyl)nortropane-2β-carboxylic Acid Methyl Esters. Norepinephrine Transporter Selective Compounds
F. Ivy Carroll, Sameer Tyagi, Bruce E. Blough, Michael J. Kuhar, and Hernn A. Navarro
pp 3852–3857Publication Date (Web): April 30, 2005 (Article)
DOI: 10.1021/jm058164j
Structure-Based Design, Parallel Synthesis, Structure−Activity Relationship, and Molecular Modeling Studies of Thiocarbamates, New Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitor Isosteres of Phenethylthiazolylthiourea Derivatives
Angelo Ranise, Andrea Spallarossa, Sara Cesarini, Francesco Bondavalli, Silvia Schenone, Olga Bruno, Giulia Menozzi, Paola Fossa, Luisa Mosti, Massimiliano La Colla, Giuseppina Sanna, Marta Murreddu, Gabriella Collu, Bernardetta Busonera, Maria Elena Marongiu, Alessandra Pani, Paolo La Colla, and Roberta Loddo
pp 3858–3873Publication Date (Web): May 05, 2005 (Article)
DOI: 10.1021/jm049252r
In Vivo Evaluation of Gadolinium Hydroxypyridonate Chelates: Initial Experience as Contrast Media in Magnetic Resonance Imaging1
Marlon K. Thompson, Bernd Misselwitz, Luke S. Tso, Dan M. J. Doble, Heribert Schmitt-Willich, and Kenneth N. Raymond
pp 3874–3877Publication Date (Web): May 03, 2005 (Article)
DOI: 10.1021/jm049041m
Design, Synthesis, and Evaluation of Stable and Taste-Free Erythromycin Proprodrugs
Pranab K. Bhadra, Gareth A. Morris, and Jill Barber
pp 3878–3884Publication Date (Web): April 29, 2005 (Article)
DOI: 10.1021/jm049155y
Structure−Activity Relationship Studies of a Series of Antiviral and Antibacterial Aglycon Derivatives of the Glycopeptide Antibiotics Vancomycin, Eremomycin, and Dechloroeremomycin
Svetlana S. Printsevskaya, Svetlana E. Solovieva, Eugenia N. Olsufyeva, Elena P. Mirchink, Elena B. Isakova, Erik De Clercq, Jan Balzarini, and Maria N. Preobrazhenskaya
pp 3885–3890Publication Date (Web): May 05, 2005 (Article)
DOI: 10.1021/jm0500774
Synthesis and Src Kinase Inhibitory Activity of 2-Phenyl- and 2-Thienyl-7-phenylaminothieno[3,2-b]pyridine-6-carbonitriles
Diane H. Boschelli, Biqi Wu, Ana Carolina Barrios Sosa, Haris Durutlic, Joan J. Chen, Yan Wang, Jennifer M. Golas, Judy Lucas, and Frank Boschelli
pp 3891–3902Publication Date (Web): May 07, 2005 (Article)
DOI: 10.1021/jm050175p
A Novel Class of in Vivo Active Anticancer Agents: Achiral seco-Amino- and seco-Hydroxycyclopropylbenz[e]indolone (seco-CBI) Analogues of the Duocarmycins and CC-1065
Atsushi Sato, LuAnne McNulty, Kari Cox, Susan Kim, Adrienne Scott, Kristen Daniell, Kaitlin Summerville, Carly Price, Stephen Hudson, Konstantinos Kiakos, John A. Hartley, Tetsuji Asao, and Moses Lee
pp 3903–3918Publication Date (Web): May 05, 2005 (Article)
DOI: 10.1021/jm050179u
Inhibition of Herpes Simplex Virus Thymidine Kinases by 2-Phenylamino-6-oxopurines and Related Compounds: Structure−Activity Relationships and Antiherpetic Activity in Vivo
Andrzej Manikowski, Annalisa Verri, Andrea Lossani, Bryan M. Gebhardt, Joseph Gambino, Federico Focher, Silvio Spadari, and George E. Wright
pp 3919–3929Publication Date (Web): May 11, 2005 (Article)
DOI: 10.1021/jm049059x
Brief Articles
3-[4-(Methylsulfonyl)phenyl]-5-(trifluoromethyl)(2-pyridyl) Phenyl Ketone as a Potent and Orally Active Cyclooxygenase-2 Selective Inhibitor: Synthesis and Biological Evaluation
Subhash P. Khanapure, Michael E. Augustyniak, Richard A. Earl, David S. Garvey, L. Gordon Letts, Allison M. Martino, Madhavi G. Murty, David J. Schwalb, Matthew J. Shumway, Andrzej M. Trocha, Delano V. Young, Irina S. Zemtseva, and David R. Janero
pp 3930–3934Publication Date (Web): May 07, 2005 (Brief Article)
DOI: 10.1021/jm0582064
Book Reviews
Chemical Genomics Edited by Ferenc Darvas, Andras Guttman, and Gycrgy Dorman. Marcel Dekker, New York. 2004. ix + 357 pp. 15.5 × 24 cm. ISBN 0-8247-5490-5. $134.00.
Bradford E. Windle
p 3935Publication Date (Web): April 29, 2005 (Book Review)
DOI: 10.1021/jm058194m
Methods and Principles in Medicinal Chemistry. Volume 22. Chemogenomics in Drug Discovery: A Medicinal Chemistry Perspective Edited by H. Kubinyi and G. Miller. Wiley-VCH Verlag GmbH & Co., KgaA, Weinheim, Germany. 2004. xxiv + 463 pp. 18 × 24.5 cm. ISBN 3-527-30987-X. $179.00.
Steven M. Firestine
pp 3935–3936Publication Date (Web): April 30, 2005 (Book Review)
DOI: 10.1021/jm0582118
Chirality in Drug Design and Development Edited by Indra K. Reddy and Reza Mehvar. Marcel Dekker, Inc., New York. 2004. xii + 444 pp. 15.5 × 24 cm. ISBN 0824750624. $174.00.
Carl Kaiser
p 3936Publication Date (Web): April 29, 2005 (Book Review)
DOI: 10.1021/jm058219h