Journal of Medicinal Chemistry: Volume 48, Issue 7 (ACS Publications)

April 7, 2005

Volume 48, Issue 7

Pages 2251-2724

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).

Miniperspective

Adverse Cardiovascular Effects of the Coxibs

Jean-Michel Dogné, Claudiu T. Supuran, and Domenico Pratico

pp 2251–2257

Publication Date (Web): March 09, 2005 (Perspective)

DOI: 10.1021/jm0402059

Abstract

Hi-Res PDF[104K]

Letters

Discovery of a Fluoroindolo[2,3-a]carbazole Clinical Candidate with Broad Spectrum Antitumor Activity in Preclinical Tumor Models Superior to the Marketed Oncology Drug, CPT-11

Mark G. Saulnier, Balu N. Balasubramanian, Byron H. Long, David B. Frennesson, Edward Ruediger, Kurt Zimmermann, Jeffrey T. Eummer, Denis R. St. Laurent, Karen M. Stoffan, B. Narasimhulu Naidu, Mikael Mahler, Francis Beaulieu, Carol Bachand, Frank Y. Lee, Craig R. Fairchild, Linda K. Stadnick, William C. Rose, Carola Solomon, Henry Wong, Alain Martel, John J. Wright, Robert Kramer, David R. Langley, and Dolatrai M. Vyas

pp 2258–2261

Publication Date (Web): February 16, 2005 (Letter)

DOI: 10.1021/jm049090z

Table of Contents

Miniperspective

Adverse Cardiovascular Effects of the Coxibs

Letters

Discovery of a Fluoroindolo[2,3-a]carbazole Clinical Candidate with Broad Spectrum Antitumor Activity in Preclinical Tumor Models Superior to the Marketed Oncology Drug, CPT-11

Discovery of a Novel Series of Peroxisome Proliferator-Activated Receptor α/γ Dual Agonists for the Treatment of Type 2 Diabetes and Dyslipidemia

3-Substituted Imidazo[1,2-d][1,2,4]-thiadiazoles: A Novel Class of Factor XIIIa Inhibitors

Design of Potent and Selective 2-Aminobenzimidazole-Based p38α MAP Kinase Inhibitors with Excellent in Vivo Efficacy

Discovery of Bicycloalkyl Urea Melanin Concentrating Hormone Receptor Antagonists: Orally Efficacious Antiobesity Therapeutics

Virtual Docking Approaches to Protein Kinase B Inhibition

Articles

9-Hydroxyazafluorenes and Their Use in Thrombin Inhibitors

Structure−Activity Relationships of Pregabalin and Analogues That Target the α2-δ Protein

Binding Mode Prediction of Cytochrome P450 and Thymidine Kinase Protein−Ligand Complexes by Consideration of Water and Rescoring in Automated Docking

Enantiospecificity of Glutamate Carboxypeptidase II Inhibition

A Knowledge-Based Energy Function for Protein−Ligand, Protein−Protein, and Protein−DNA Complexes

Structures of Three Classes of Anticancer Agents Bound to the Human Topoisomerase I−DNA Covalent Complex

Novel Cyano- and N-Isopropylamidino-Substituted Derivatives of Benzo[b]thiophene-2-carboxanilides and Benzo[b]thieno[2,3-c]quinolones: Synthesis, Photochemical Synthesis, Crystal Structure Determination, and Antitumor Evaluation. 2

A Comparison of the Binding Sites of Matrix Metalloproteinases and Tumor Necrosis Factor-α Converting Enzyme: Implications for Selectivity

Pyrido[2,3-d]pyrimidin-7-ones as Specific Inhibitors of Cyclin-Dependent Kinase 4

Discovery of a Potent and Selective Inhibitor of Cyclin-Dependent Kinase 4/6

Sulfur-Substituted α-Alkyl Phenethylamines as Selective and Reversible MAO-A Inhibitors: Biological Activities, CoMFA Analysis, and Active Site Modeling

Synthesis of 3-Arylpiperazinylalkylpyrrolo[3,2-d]pyrimidine-2,4-dione Derivatives as Novel, Potent, and Selective α1-Adrenoceptor Ligands

Hierarchical Database Screenings for HIV-1 Reverse Transcriptase Using a Pharmacophore Model, Rigid Docking, Solvation Docking, and MM−PB/SA

A New Class of Selective Myocardial Calcium Channel Modulators. 2. Role of the Acetal Chain in Oxadiazol-3-one Derivatives

LEA3D: A Computer-Aided Ligand Design for Structure-Based Drug Design

Predicting Human Serum Albumin Affinity of Interleukin-8 (CXCL8) Inhibitors by 3D-QSPR Approach

Architecture of the Human Urotensin II Receptor: Comparison of the Binding Domains of Peptide and Non-Peptide Urotensin II Agonists

CoMFA and CoMSIA Investigations Revealing Novel Insights into the Binding Modes of Dopamine D3 Receptor Agonists

Substituted 5,5‘-Diphenyl-2-thioxoimidazolidin-4-one as CB1 Cannabinoid Receptor Ligands: Synthesis and Pharmacological Evaluation

Druggability Indices for Protein Targets Derived from NMR-Based Screening Data

Identification of 1,2,3,4,5,6-Hexabromocyclohexane as a Small Molecule Inhibitor of Jak2 Tyrosine Kinase Autophophorylation

Virtual Screening Workflow Development Guided by the “Receiver Operating Characteristic” Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4

Synthesis and Structure−Activity Relationships of a New Model of Arylpiperazines. 8.1 Computational Simulation of Ligand−Receptor Interaction of 5-HT1AR Agonists with Selectivity over α1-Adrenoceptors

Fluorinated Diaryl Sulfides as Serotonin Transporter Ligands: Synthesis, Structure−Activity Relationship Study, and in Vivo Evaluation of Fluorine-18-Labeled Compounds as PET Imaging Agents

High-Throughput Lipophilicity Measurement with Immobilized Artificial Membranes

N-[18F]Fluoroethylpiperidin-4ylmethyl Acetate, a Novel Lipophilic Acetylcholine Analogue for PET Measurement of Brain Acetylcholinesterase Activity

Discovery of 2-Arylthiazolidine-4-carboxylic Acid Amides as a New Class of Cytotoxic Agents for Prostate Cancer

Lipopolysaccharide Sequestrants: Structural Correlates of Activity and Toxicity in Novel Acylhomospermines

Syntheses and Biological Activities of Rebeccamycin Analogues with Uncommon Sugars

From 1-Acyl-β-lactam Human Cytomegalovirus Protease Inhibitors to 1-Benzyloxycarbonylazetidines with Improved Antiviral Activity. A Straightforward Approach To Convert Covalent to Noncovalent Inhibitors

Sodium Nitroprusside: Mechanism of NO Release Mediated by Sulfhydryl-Containing Molecules

Synthesis and Pharmacology of N1-Substituted Piperazine-2,3-dicarboxylic Acid Derivatives Acting as NMDA Receptor Antagonists

Synthesis, Structure−Activity Relationships at the GABAA Receptor in Rat Brain, and Differential Electrophysiological Profile at the Recombinant Human GABAA Receptor of a Series of Substituted 1,2-Diphenylimidazoles

Preparation and Pharmacological Characterization of trans-2-Amino-5(6)-fluoro-6(5)-hydroxy-1-phenyl-2,3-dihydro-1H-indenes as D2-like Dopamine Receptor Agonists

No Auxiliary, No Byproduct Strategy for Water-Soluble Prodrugs of Taxoids: Scope and Limitation of O−N Intramolecular Acyl and Acyloxy Migration Reactions

Cationic Chalcone Antibiotics. Design, Synthesis, and Mechanism of Action

Discovery of the α7 Nicotinic Acetylcholine Receptor Agonists. (R)-3‘-(5-Chlorothiophen-2-yl)spiro-1-azabicyclo[2.2.2]octane-3,5‘-[1‘,3‘]oxazolidin-2‘-one as a Novel, Potent, Selective, and Orally Bioavailable Ligand

Anchor−GRIND: Filling the Gap between Standard 3D QSAR and the GRid-INdependent Descriptors

Synthesis of 2‘,3‘-Dideoxynucleoside 5‘-α-P-Borano-β,γ-(difluoromethylene)triphosphates and Their Inhibition of HIV-1 Reverse Transcriptase

Synthesis of Some Cryptolepine Analogues, Assessment of Their Antimalarial and Cytotoxic Activities, and Consideration of Their Antimalarial Mode of Action

Synthesis, Biological Activity, and SAR of Antimycobacterial 9-Aryl-, 9-Arylsulfonyl-, and 9-Benzyl-6-(2-furyl)purines

Additions and Corrections

Pyrazolo[1,5-a]pyrimidines: Estrogen Receptor Ligands Possessing Estrogen Receptor β Antagonist Activity.

Liver-Selective Glucocorticoid Antagonists: A Novel Treatment for Type 2 Diabetes.

Structure−Activity Relationships of Pregabalin and Analogues That Target the α₂-δ Protein

Synthesis of 3-Arylpiperazinylalkylpyrrolo[3,2-d]pyrimidine-2,4-dione Derivatives as Novel, Potent, and Selective α₁-Adrenoceptor Ligands

Substituted 5,5‘-Diphenyl-2-thioxoimidazolidin-4-one as CB₁ Cannabinoid Receptor Ligands: Synthesis and Pharmacological Evaluation

Synthesis and Structure−Activity Relationships of a New Model of Arylpiperazines. 8.¹ Computational Simulation of Ligand−Receptor Interaction of 5-HT_1AR Agonists with Selectivity over α₁-Adrenoceptors

N-[¹⁸F]Fluoroethylpiperidin-4ylmethyl Acetate, a Novel Lipophilic Acetylcholine Analogue for PET Measurement of Brain Acetylcholinesterase Activity

Synthesis and Pharmacology of N¹-Substituted Piperazine-2,3-dicarboxylic Acid Derivatives Acting as NMDA Receptor Antagonists

Synthesis, Structure−Activity Relationships at the GABA_A Receptor in Rat Brain, and Differential Electrophysiological Profile at the Recombinant Human GABA_A Receptor of a Series of Substituted 1,2-Diphenylimidazoles

Preparation and Pharmacological Characterization of trans-2-Amino-5(6)-fluoro-6(5)-hydroxy-1-phenyl-2,3-dihydro-1H-indenes as D₂-like Dopamine Receptor Agonists