Molecular Model

Phosphoramidate Dinucleosides as Hepatitis C Virus Polymerase Inhibitors

Organic Chemistry / Medicinal Chemistry / Modeling / Enzyme Inhibitors / Magnetic Resonance Spectroscopy / In Vitro / Humans / Virus / Hepatitis C Virus / Organophosphorus Compounds / Medicinal / Molecular Model / Nucleosides / Chemical Synthesis / Oxidation-Reduction / In Vitro / Humans / Virus / Hepatitis C Virus / Organophosphorus Compounds / Medicinal / Molecular Model / Nucleosides / Chemical Synthesis / Oxidation-Reduction

New potent 5-nitrofuryl derivatives as inhibitors of Trypanosoma cruzi growth. 3D-QSAR (CoMFA) studies

Organic Chemistry / Mass Spectrometry / Modeling / Prediction / Magnetic Resonance Spectroscopy / Growth / QSAR / Animals / Quantitative Structure Activity Relationship / Hydrogen Bond / European / Trypanosoma Cruzi / Molecular Model / Three Dimensional / Trypanocidal Agents / Quntitative Thin Layer Chromatography / Chemical Synthesis / Growth / QSAR / Animals / Quantitative Structure Activity Relationship / Hydrogen Bond / European / Trypanosoma Cruzi / Molecular Model / Three Dimensional / Trypanocidal Agents / Quntitative Thin Layer Chromatography / Chemical Synthesis

Discovery of novel inhibitors of Trypanosoma cruzi trans-sialidase from in silico screening

Organic Chemistry / Kinetics / Modeling / Crystallization / Enzyme Inhibitors / Pharmaceutical Chemistry / Macromolecular X-Ray Crystallography / Crystal structure / In Vitro / Virtual screening / Animals / Ligand Binding / Drug Design / Molecular docking / Glycoproteins / Chagas disease / Enzyme / Neuraminidase / Active site / Trypanosoma Cruzi / Ether / Molecular Model / Bioorganic and medicinal Chemistry / Sialic Acid / In Silico / Drug Targeting / Ligands / Trans-Sialidase / Pharmaceutical Chemistry / Macromolecular X-Ray Crystallography / Crystal structure / In Vitro / Virtual screening / Animals / Ligand Binding / Drug Design / Molecular docking / Glycoproteins / Chagas disease / Enzyme / Neuraminidase / Active site / Trypanosoma Cruzi / Ether / Molecular Model / Bioorganic and medicinal Chemistry / Sialic Acid / In Silico / Drug Targeting / Ligands / Trans-Sialidase

Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors

Organic Chemistry / Schizophrenia / Structure / Modeling / Macromolecular X-Ray Crystallography / In Vitro / Permeability / Animals / Phosphodiesterase Inhibitors / Rats / Molecular Model / Bioorganic and medicinal Chemistry / Benzimidazoles / Protein Binding / Chemical Synthesis / Molecular Structure / Quinazolines / In Vitro / Permeability / Animals / Phosphodiesterase Inhibitors / Rats / Molecular Model / Bioorganic and medicinal Chemistry / Benzimidazoles / Protein Binding / Chemical Synthesis / Molecular Structure / Quinazolines

Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors

Organic Chemistry / Schizophrenia / Structure / Modeling / Macromolecular X-Ray Crystallography / In Vitro / Permeability / Animals / Phosphodiesterase Inhibitors / Rats / Molecular Model / Bioorganic and medicinal Chemistry / Benzimidazoles / Protein Binding / Chemical Synthesis / Molecular Structure / Quinazolines / In Vitro / Permeability / Animals / Phosphodiesterase Inhibitors / Rats / Molecular Model / Bioorganic and medicinal Chemistry / Benzimidazoles / Protein Binding / Chemical Synthesis / Molecular Structure / Quinazolines

Phosphoramidate Dinucleosides as Hepatitis C Virus Polymerase Inhibitors

Organic Chemistry / Medicinal Chemistry / Modeling / Enzyme Inhibitors / Magnetic Resonance Spectroscopy / In Vitro / Humans / Virus / Hepatitis C Virus / Organophosphorus Compounds / Medicinal / Molecular Model / Nucleosides / Chemical Synthesis / Oxidation-Reduction / In Vitro / Humans / Virus / Hepatitis C Virus / Organophosphorus Compounds / Medicinal / Molecular Model / Nucleosides / Chemical Synthesis / Oxidation-Reduction

Phosphoramidate Dinucleosides as Hepatitis C Virus Polymerase Inhibitors

Organic Chemistry / Medicinal Chemistry / Modeling / Enzyme Inhibitors / Magnetic Resonance Spectroscopy / In Vitro / Humans / Virus / Hepatitis C Virus / Organophosphorus Compounds / Medicinal / Molecular Model / Nucleosides / Chemical Synthesis / Oxidation-Reduction / In Vitro / Humans / Virus / Hepatitis C Virus / Organophosphorus Compounds / Medicinal / Molecular Model / Nucleosides / Chemical Synthesis / Oxidation-Reduction

Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 1

Organic Chemistry / Modeling / Prediction / Pharmacokinetics / Molecular modeling / Cercopithecus aethiops / Cell line / In Vitro / Humans / Animals / Resonant Energy Transfer / Bioluminescence / In Vivo / Rats / Molecular Model / Water Solubility / Acetic Acid / ADME / Bioorganic and medicinal Chemistry / Thiazoles / In Silico / Structure activity Relationship / Protein Binding / Chemical Synthesis / Selectivity / Binding affinity / Cercopithecus aethiops / Cell line / In Vitro / Humans / Animals / Resonant Energy Transfer / Bioluminescence / In Vivo / Rats / Molecular Model / Water Solubility / Acetic Acid / ADME / Bioorganic and medicinal Chemistry / Thiazoles / In Silico / Structure activity Relationship / Protein Binding / Chemical Synthesis / Selectivity / Binding affinity

Kojic acid–amino acid conjugates as tyrosinase inhibitors

Bioinformatics / Organic Chemistry / Kinetics / Modeling / Prediction / Enzyme Inhibitors / Stability / Genetic Algorithm / Enzyme Kinetics / In Vitro / Computer Simulation / Kojic Acid / Search Algorithm / Amino Acids / Molecular Model / Amino Acid Profile / Bioorganic and medicinal Chemistry / Enzyme Inhibitors / Stability / Genetic Algorithm / Enzyme Kinetics / In Vitro / Computer Simulation / Kojic Acid / Search Algorithm / Amino Acids / Molecular Model / Amino Acid Profile / Bioorganic and medicinal Chemistry

4-Amino-6-arylamino-pyrimidine-5-carbaldehyde hydrazones as potent ErbB-2/EGFR dual kinase inhibitors

Organic Chemistry / Modeling / Pharmacokinetics / Pharmaceutical Chemistry / Signal Transduction / Crystal structure / X Rays / In Vitro / Humans / Animals / Drug Design / Kinase inhibitor / Design Rationale / In Vivo / Hydrazones / Rats / Oximes / Molecular Model / Molecular Conformation / Bioorganic and medicinal Chemistry / Growth Factor / Structure activity Relationship / Chemical Synthesis / Protein Kinase Inhibitors / Receptor Tyrosine Kinase / Crystal structure / X Rays / In Vitro / Humans / Animals / Drug Design / Kinase inhibitor / Design Rationale / In Vivo / Hydrazones / Rats / Oximes / Molecular Model / Molecular Conformation / Bioorganic and medicinal Chemistry / Growth Factor / Structure activity Relationship / Chemical Synthesis / Protein Kinase Inhibitors / Receptor Tyrosine Kinase

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