Journal of Medicinal Chemistry

Synthesis and Evaluation of Novel 7- and 8-Aminophenoxazinones for the Detection of β-Alanine Aminopeptidase Activity and the Reliable Identification of Pseudomonas aeruginosa in Clinical Samples (Wed, 04 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01591
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The Identification and Pharmacological Characterization of 6-(tert-Butylsulfonyl)-N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine (GSK583), a Highly Potent and Selective Inhibitor of RIP2 Kinase (Wed, 04 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00211
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Rapid Discovery and Structure–Activity Relationships of Pyrazolopyrimidines That Potently Suppress Breast Cancer Cell Growth via SRC Kinase Inhibition with Exceptional Selectivity over ABL Kinase (Wed, 04 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00065
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A Novel Potent and Highly Specific Inhibitor against Influenza Viral N1–N9 Neuraminidases: Insight into Neuraminidase–Inhibitor Interactions (Wed, 04 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01863
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Rational Design of Potent and Selective Inhibitors of an Epoxide Hydrolase Virulence Factor from Pseudomonas aeruginosa (Wed, 04 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00173
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Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (BAY-598) for the Protein Lysine Methyltransferase SMYD2 (Tue, 03 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01890
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Preclinical Characterization of 3β-(N-Acetyl l-cysteine methyl ester)-2aβ,3-dihydrogaliellalactone (GPA512), a Prodrug of a Direct STAT3 Inhibitor for the Treatment of Prostate Cancer (Tue, 03 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01814
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Crystal Structure of Human E-Cadherin-EC1EC2 in Complex with a Peptidomimetic Competitive Inhibitor of Cadherin Homophilic Interaction (Tue, 03 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01487
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Identification of a Chemical Probe for Family VIII Bromodomains through Optimization of a Fragment Hit (Tue, 03 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00012
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Lead Optimization of 2-Phenylindolylglyoxylyldipeptide Murine Double Minute (MDM)2/Translocator Protein (TSPO) Dual Inhibitors for the Treatment of Gliomas (Tue, 03 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01767
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Synthesis, Structural Elucidation, and Biological Evaluation of NSC12, an Orally Available Fibroblast Growth Factor (FGF) Ligand Trap for the Treatment of FGF-Dependent Lung Tumors (Tue, 03 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b02021
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Synthesis and Pharmacology of (Pyridin-2-yl)methanol Derivatives as Novel and Selective Transient Receptor Potential Vanilloid 3 Antagonists (Mon, 02 May 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00287
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Discovery of the First α-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Antagonist Dependent upon Transmembrane AMPA Receptor Regulatory Protein (TARP) γ-8 (Fri, 29 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00125
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Design, Synthesis, and Biological Evaluations of Hydroxypyridonecarboxylic Acids as Inhibitors of HIV Reverse Transcriptase Associated RNase H (Fri, 29 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00465
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A Prospective Virtual Screening Study: Enriching Hit Rates and Designing Focus Libraries To Find Inhibitors of PI3Kδ and PI3Kγ (Thu, 28 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01974
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Development of Potent and Selective Inhibitors for Group VIA Calcium-Independent Phospholipase A2 Guided by Molecular Dynamics and Structure–Activity Relationships (Thu, 28 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00377
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Probing the Anticancer Action of Oridonin with Fluorescent Analogues: Visualizing Subcellular Localization to Mitochondria (Wed, 27 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00408
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An Advanced Tool To Interrogate BRD9 (Wed, 27 Apr 2016)
Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00550
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Synthesis and Anti-Influenza Activity of Pyridine, Pyridazine, and Pyrimidine C-Nucleosides as Favipiravir (T-705) Analogues (Wed, 27 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01933
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Isatin Derived Spirocyclic Analogues with α-Methylene-γ-butyrolactone as Anticancer Agents: A Structure–Activity Relationship Study (Tue, 26 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00400
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Zinc(II)–Thiosemicarbazone Complexes Are Localized to the Lysosomal Compartment Where They Transmetallate with Copper Ions to Induce Cytotoxicity (Tue, 26 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00238
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Structural Basis for the Selective Binding of Inhibitors to 6-Hydroxymethyl-7,8-dihydropterin Pyrophosphokinase from Staphylococcus aureus and Escherichia coli (Tue, 26 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00002
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Structural and Thermodynamic Characterization of Protein–Ligand Interactions Formed between Lipoprotein-Associated Phospholipase A2 and Inhibitors (Tue, 26 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00282
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Neurosteroid-like Inhibitors of N-Methyl-d-aspartate Receptor: Substituted 2-Sulfates and 2-Hemisuccinates of Perhydrophenanthrene (Tue, 26 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00079
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Unprecedented Binding Mode of Hydroxamate-Based Inhibitors of Glutamate Carboxypeptidase II: Structural Characterization and Biological Activity (Mon, 25 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01806
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Identification of Potential Off-target Toxicity Liabilities of Catechol-O-methyltransferase Inhibitors by Differential Competition Capture Compound Mass Spectrometry (Mon, 25 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01970
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Discovery and Structure–Activity Relationships of the Neoseptins: A New Class of Toll-like Receptor-4 (TLR4) Agonists (Mon, 25 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00177
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Discovery of a Potent, Selective, Orally Bioavailable, and Efficacious Novel 2-(Pyrazol-4-ylamino)-pyrimidine Inhibitor of the Insulin-like Growth Factor-1 Receptor (IGF-1R) (Fri, 22 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00203
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WScore: A Flexible and Accurate Treatment of Explicit Water Molecules in Ligand–Receptor Docking (Fri, 22 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00131
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Discovery, Optimization, and Biological Evaluation of Sulfonamidoacetamides as an Inducer of Axon Regeneration (Fri, 22 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00015
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Synthesis and Biological Evaluation of Vitamin D3 Metabolite 20S,23S-Dihydroxyvitamin D3 and Its 23R Epimer (Fri, 22 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00182
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Phthalocyanine Labels for Near-Infrared Fluorescence Imaging of Solid Tumors (Fri, 22 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00054
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Impact of Binding Site Comparisons on Medicinal Chemistry and Rational Molecular Design (Thu, 21 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00078
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Development of Small Molecules that Specifically Inhibit the D-loop Activity of RAD51 (Thu, 21 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01762
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Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibition by Optimization of the 2-Aminopyridine-Based Scaffold with a Pyridine Linker (Wed, 20 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00273
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Design, Synthesis, and Biological Evaluation of Potential Prodrugs Related to the Experimental Anticancer Agent Indotecan (LMP400) (Wed, 20 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00220
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Discovery and Structural Characterization of G-quadruplex DNA in Human Acetyl-CoA Carboxylase Gene Promoters: Its Role in Transcriptional Regulation and as a Therapeutic Target for Human Disease (Wed, 20 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00453
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Polymerase Acidic Protein–Basic Protein 1 (PA–PB1) Protein–Protein Interaction as a Target for Next-Generation Anti-influenza Therapeutics (Tue, 19 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01474
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Notch Antagonists: Potential Modulators of Cancer and Inflammatory Diseases (Mon, 18 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01516
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Structure-Based Identification of Novel Ligands Targeting Multiple Sites within a Chemokine–G-Protein-Coupled-Receptor Interface (Thu, 14 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b02042
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Identifying Interactions that Determine Fragment Binding at Protein Hotspots (Mon, 11 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01980
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Big Data from Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists’ Bread and Butter (Fri, 08 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00153
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Advances in Computational Medicinal Chemistry: A Reflection on the Evolution of the Field and Perspective Going Forward (Thu, 07 Apr 2016)
Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00511
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Artemisinin-Derived Dimers: Potent Antimalarial and Anticancer Agents (Wed, 06 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01380
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Gamma Secretase Modulators: New Alzheimer’s Drugs on the Horizon? (Tue, 05 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01960
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Ten Years of Medicinal Chemistry (2005–2014) in the Journal of Medicinal Chemistry: Country of Contributors, Topics, and Public–Private Partnerships (Tue, 05 Apr 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01349
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Integrating Everything: The Molecule Selection Toolkit, a System for Compound Prioritization in Drug Discovery (Tue, 22 Mar 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01338
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PDEStrIAn: A Phosphodiesterase Structure and Ligand Interaction Annotated Database As a Tool for Structure-Based Drug Design (Fri, 18 Mar 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01813
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Avoiding Missed Opportunities by Analyzing the Sensitivity of Our Decisions (Fri, 18 Mar 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01921
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Delineation of Polypharmacology across the Human Structural Kinome Using a Functional Site Interaction Fingerprint Approach (Thu, 17 Mar 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b02041
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Fragment Molecular Orbital Method Applied to Lead Optimization of Novel Interleukin-2 Inducible T-Cell Kinase (ITK) Inhibitors (Thu, 17 Mar 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.6b00045
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Docking Screens for Novel Ligands Conferring New Biology (Tue, 15 Mar 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b02008
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Nociceptin Opioid Receptor (NOP) as a Therapeutic Target: Progress in Translation from Preclinical Research to Clinical Utility (Mon, 14 Mar 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01499
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Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor (Thu, 10 Mar 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01865
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Targeting the Bacterial Division Protein FtsZ (Thu, 10 Mar 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01098
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An Overview of Severe Acute Respiratory Syndrome–Coronavirus (SARS-CoV) 3CL Protease Inhibitors: Peptidomimetics and Small Molecule Chemotherapy (Mon, 29 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01461
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Recent Progress on Bile Acid Receptor Modulators for Treatment of Metabolic Diseases (Mon, 29 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b00342
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Hydrogen Bond Basicity Prediction for Medicinal Chemistry Design (Fri, 26 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01946
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Challenges and Perspectives on the Development of Small-Molecule EGFR Inhibitors against T790M-Mediated Resistance in Non-Small-Cell Lung Cancer (Fri, 26 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b00840
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Chemical Space of DNA-Encoded Libraries (Thu, 25 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01874
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A Real-World Perspective on Molecular Design (Wed, 24 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01875
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Design and Development of Microsomal Prostaglandin E2 Synthase-1 Inhibitors: Challenges and Future Directions (Wed, 24 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01750
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Structure-Based Design of Peptidic Inhibitors of the Interaction between CC Chemokine Ligand 5 (CCL5) and Human Neutrophil Peptides 1 (HNP1) (Tue, 23 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01952
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Lanthanides: Applications in Cancer Diagnosis and Therapy (Fri, 19 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01975
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Novel Strategies for the Treatment of Pseudomonas aeruginosa Infections (Thu, 18 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01698
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Quadruplex Nucleic Acids as Novel Therapeutic Targets (Tue, 16 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01835
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Development of Heat Shock Protein (Hsp90) Inhibitors To Combat Resistance to Tyrosine Kinase Inhibitors through Hsp90–Kinase Interactions (Tue, 16 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01106
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De Novo Design at the Edge of Chaos (Tue, 16 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01849
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Antimalarial Chemotherapy: Natural Product Inspired Development of Preclinical and Clinical Candidates with Diverse Mechanisms of Action (Tue, 09 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01485
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Role of Molecular Dynamics and Related Methods in Drug Discovery (Mon, 08 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01684
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The Medicinal Chemistry of Dengue Virus (Fri, 05 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01653
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Computational Exploration of Molecular Scaffolds in Medicinal Chemistry (Wed, 03 Feb 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01746
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Development of Autotaxin Inhibitors: An Overview of the Patent and Primary Literature (Thu, 28 Jan 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01599
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Recent Progress in the Development of HIV-1 Protease Inhibitors for the Treatment of HIV/AIDS (Fri, 22 Jan 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01697
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Recent Progress in the Discovery of Next Generation Inhibitors of Aromatase from the Structure–Function Perspective (Tue, 19 Jan 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01281
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Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies (Tue, 12 Jan 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01643
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Interactive and Versatile Navigation of Structural Databases (Fri, 08 Jan 2016)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01756
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Perspectives on the Two-Pore Domain Potassium Channel TREK-1 (TWIK-Related K+ Channel 1). A Novel Therapeutic Target? (Mon, 14 Dec 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b00671
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Protein-Observed Fluorine NMR: A Bioorthogonal Approach for Small Molecule Discovery (Mon, 14 Dec 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01447
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3-Oxo-hexahydro-1H-isoindole-4-carboxylic Acid as a Drug Chiral Bicyclic Scaffold: Structure-Based Design and Preparation of Conformationally Constrained Covalent and Noncovalent Prolyl Oligopeptidase Inhibitors (Mon, 14 Dec 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01296
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Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone? (Tue, 01 Dec 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01409
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Use of Photosensitizers in Semisolid Formulations for Microbial Photodynamic Inactivation (Tue, 01 Dec 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01129
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Progress in the Development of Small Molecule Therapeutics for the Treatment of Neuronal Ceroid Lipofuscinoses (NCLs) (Tue, 24 Nov 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01020
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Monitoring the Progression of Structure–Activity Relationship Information during Lead Optimization (Mon, 16 Nov 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01428
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Structure-Based Inhibitor Design for Evaluation of a CYP3A4 Pharmacophore Model (Thu, 24 Sep 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01146
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OpenGrowth: An Automated and Rational Algorithm for Finding New Protein Ligands (Wed, 23 Sep 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b00886
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Quantifying, Visualizing, and Monitoring Lead Optimization (Fri, 21 Aug 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b00948
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Discovery of Novel 15-Lipoxygenase Activators To Shift the Human Arachidonic Acid Metabolic Network toward Inflammation Resolution (Thu, 20 Aug 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b01011
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DARC: Mapping Surface Topography by Ray-Casting for Effective Virtual Screening at Protein Interaction Sites (Fri, 10 Jul 2015)
TOC Graphic Journal of Medicinal Chemistry DOI: 10.1021/acs.jmedchem.5b00150
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