Journal of Medicinal Chemistry: Volume 48, Issue 22 (ACS Publications)

November 3, 2005

Volume 48, Issue 22

Pages 6767-7088

About the Cover: llustration 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).

Letters

Design and Synthesis of Peptidomimetic Severe Acute Respiratory Syndrome Chymotrypsin-like Protease Inhibitors

Arun K. Ghosh, Kai Xi, Kiira Ratia, Bernard D. Santarsiero, Wentao Fu, Brian H. Harcourt, Paul A. Rota, Susan C. Baker, Michael E. Johnson, and Andrew D. Mesecar

pp 6767–6771

Publication Date (Web): October 04, 2005 (Letter)

DOI: 10.1021/jm050548m

Table of Contents

Letters

Design and Synthesis of Peptidomimetic Severe Acute Respiratory Syndrome Chymotrypsin-like Protease Inhibitors

A Selective Estrogen Receptor Modulator Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats

6-[1-(2,6-Difluorophenyl)ethyl]pyrimidinones Antagonize Cell Proliferation and Induce Cell Differentiation by Inhibiting (a Nontelomeric) Endogenous Reverse Transcriptase

First-in-Class Pan Caspase Inhibitor Developed for the Treatment of Liver Disease

Synthesis of a Resveratrol Analogue with High Ceramide-Mediated Proapoptotic Activity on Human Breast Cancer Cells

Lipid-Soluble 3-Pyridinol Antioxidants Spare α-Tocopherol and Do Not Efficiently Mediate Peroxidation of Cholesterol Esters in Human Low-Density Lipoprotein

Articles

Scaffold Hopping with Molecular Field Points: Identification of a Cholecystokinin-2 (CCK2) Receptor Pharmacophore and Its Use in the Design of a Prototypical Series of Pyrrole- and Imidazole-Based CCK2 Antagonists

Optimization of the in Vitro and in Vivo Properties of a Novel Series of 2,4,5-Trisubstituted Imidazoles as Potent Cholecystokinin-2 (CCK2) Antagonists

Molecular Modeling and Molecular Dynamics Simulation of the Human A2B Adenosine Receptor. The Study of the Possible Binding Modes of the A2B Receptor Antagonists

PostDOCK: A Structural, Empirical Approach to Scoring Protein Ligand Complexes

A New Lead for Nonpeptidic Active-Site-Directed Inhibitors of the Severe Acute Respiratory Syndrome Coronavirus Main Protease Discovered by a Combination of Screening and Docking Methods

Pyrazolo[3,4-c]pyridazines as Novel and Selective Inhibitors of Cyclin-Dependent Kinases

Synthesis, Structure−Activity Relationships, and Biological Properties of 1-Heteroaryl-4-[ω-(1H-indol-3-yl)alkyl]piperazines, Novel Potential Antipsychotics Combining Potent Dopamine D2 Receptor Antagonism with Potent Serotonin Reuptake Inhibition

Azepanone-Based Inhibitors of Human Cathepsin L

Comparative Epitope Mapping with Saturation Transfer Difference NMR of Sialyl Lewisa Compounds and Derivatives Bound to a Monoclonal Antibody

2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and Analogues as A2A Adenosine Receptor Antagonists. Design, Synthesis, and Pharmacological Characterization

Naphtho[1,2-d]isothiazole Acetic Acid Derivatives as a Novel Class of Selective Aldose Reductase Inhibitors

Selective Inhibitors of the Serine Protease Plasmin: Probing the S3 and S3‘ Subsites Using a Combinatorial Library

Biospectra Analysis: Model Proteome Characterizations for Linking Molecular Structure and Biological Response

Solvent Constraints on the Property Space of Acetylcholine. 2. Ordered Media

Toward Selective Histone Deacetylase Inhibitor Design: Homology Modeling, Docking Studies, and Molecular Dynamics Simulations of Human Class I Histone Deacetylases

Is Antagonism of E/Z-Guggulsterone at the Farnesoid X Receptor Mediated by a Noncanonical Binding Site? A Molecular Modeling Study

2,5-Diketopiperazines as Potent, Selective, and Orally Bioavailable Oxytocin Antagonists. 2. Synthesis, Chirality, and Pharmacokinetics

MetaSite: Understanding Metabolism in Human Cytochromes from the Perspective of the Chemist

Fast Small Molecule Similarity Searching with Multiple Alignment Profiles of Molecules Represented in One-Dimension

Structure-Based Virtual Screening for Low Molecular Weight Chemical Starting Points for Dipeptidyl Peptidase IV Inhibitors

Extraction and Visualization of Potential Pharmacophore Points Using Support Vector Machines: Application to Ligand-Based Virtual Screening for COX-2 Inhibitors

Total Synthesis of Two Novel Subpicomolar Sarco/Endoplasmatic Reticulum Ca2+-ATPase Inhibitors Designed by an Analysis of the Binding Site of Thapsigargin

Design and Studies of Novel 5-Substituted Alkynylpyrimidine Nucleosides as Potent Inhibitors of Mycobacteria

11C-Labeling of N-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]arylcarboxamide Derivatives and Evaluation as Potential Radioligands for PET Imaging of Dopamine D3 Receptors

Synthesis of 5-Nitro-2-furancarbohydrazides and Their cis-Diamminedichloroplatinum Complexes as Bitopic and Irreversible Human Thioredoxin Reductase Inhibitors

Synthesis and Structure−Activity Relationships of Suramin-Derived P2Y11 Receptor Antagonists with Nanomolar Potency

Enhancing the Effectiveness of Similarity-Based Virtual Screening Using Nearest-Neighbor Information

Discovery and Biological Evaluation of the Novel Naturally Occurring Diterpene Pepluanone as Antiinflammatory Agent

Synthesis and Antibacterial Activity of 3-Substituted-6-(3-ethyl-4-methylanilino)uracils

Brief Articles

Orally Active Benzoxazole Derivative as 5-HT3 Receptor Partial Agonist for Treatment of Diarrhea-Predominant Irritable Bowel Syndrome

Synthesis, Radiosynthesis, and Biological Evaluation of Carbon-11 and Fluorine-18 (N-Fluoroalkyl) Labeled 2β-Carbomethoxy-3β-(4'-(3-furyl)phenyl)tropanes and -nortropanes: Candidate Radioligands for in Vivo Imaging of the Serotonin Transporter with Positron Emission Tomography

Pharmacophore-Based Design of HIV-1 Integrase Strand-Transfer Inhibitors

Scaffold Hopping with Molecular Field Points: Identification of a Cholecystokinin-2 (CCK₂) Receptor Pharmacophore and Its Use in the Design of a Prototypical Series of Pyrrole- and Imidazole-Based CCK₂ Antagonists

Optimization of the in Vitro and in Vivo Properties of a Novel Series of 2,4,5-Trisubstituted Imidazoles as Potent Cholecystokinin-2 (CCK₂) Antagonists

Molecular Modeling and Molecular Dynamics Simulation of the Human A_2B Adenosine Receptor. The Study of the Possible Binding Modes of the A_2B Receptor Antagonists

Synthesis, Structure−Activity Relationships, and Biological Properties of 1-Heteroaryl-4-[ω-(1H-indol-3-yl)alkyl]piperazines, Novel Potential Antipsychotics Combining Potent Dopamine D₂ Receptor Antagonism with Potent Serotonin Reuptake Inhibition

Comparative Epitope Mapping with Saturation Transfer Difference NMR of Sialyl Lewis^a Compounds and Derivatives Bound to a Monoclonal Antibody

2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and Analogues as A_2A Adenosine Receptor Antagonists. Design, Synthesis, and Pharmacological Characterization

Total Synthesis of Two Novel Subpicomolar Sarco/Endoplasmatic Reticulum Ca²⁺-ATPase Inhibitors Designed by an Analysis of the Binding Site of Thapsigargin

¹¹C-Labeling of N-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]arylcarboxamide Derivatives and Evaluation as Potential Radioligands for PET Imaging of Dopamine D₃ Receptors

Synthesis and Structure−Activity Relationships of Suramin-Derived P2Y₁₁ Receptor Antagonists with Nanomolar Potency

Orally Active Benzoxazole Derivative as 5-HT₃ Receptor Partial Agonist for Treatment of Diarrhea-Predominant Irritable Bowel Syndrome