Drug Design

New 7,8-ethylenedioxy-2,3-benzodiazepines as noncompetitive AMPA receptor antagonists

Organic Chemistry / Pharmaceutical Chemistry / Humans / Mice / DBA / Animals / Drug Design / Benzodiazepines / Rats / Bioorganic and medicinal Chemistry / Structure activity Relationship / Protein Binding / Functional Testing / Animals / Drug Design / Benzodiazepines / Rats / Bioorganic and medicinal Chemistry / Structure activity Relationship / Protein Binding / Functional Testing

3D-QSAR design of novel antiepileptic sulfamides

Organic Chemistry / Epilepsy / Mice / Female / Animals / Male / Drug Design / Quantitative Structure Activity Relationship / Three Dimensional / Bioorganic and medicinal Chemistry / Structure activity Relationship / Ligands / Molecular Structure / Male / Drug Design / Quantitative Structure Activity Relationship / Three Dimensional / Bioorganic and medicinal Chemistry / Structure activity Relationship / Ligands / Molecular Structure

Simple aromatic compounds containing propenone moiety show considerable dual COX/5-LOX inhibitory activities

Organic Chemistry / Enzyme Inhibitors / Mice / Animals / Male / Drug Design / Polycyclic aromatic hydrocarbons (PAHs) / lipoxygenase (LOX) inhibitors / Bioorganic and medicinal Chemistry / Structure activity Relationship / Bone Marrow Cells / Drug Design / Polycyclic aromatic hydrocarbons (PAHs) / lipoxygenase (LOX) inhibitors / Bioorganic and medicinal Chemistry / Structure activity Relationship / Bone Marrow Cells

Design of Artificial Tubular Protein Structures In 3D Hexagonal Prism Lattice Under HP Model

Protein Folding / Drug Design / Protein structure / Amino Acid Sequence

Design of Artificial Tubular Protein Structures in 3D Hexagonal Prism Lattice Under HP Model

Protein Folding / Drug Design / Protein structure / Amino Acid Sequence

Novel 3-Carboxy- and 3-Phosphonopyrazoline Amino Acids as Potent and Selective NMDA Receptor Antagonists: Design, Synthesis, and Pharmacological Characterization

Organic Chemistry / Mice / Animals / Drug Design / Amino Acids / Rats / Amino Acid Profile / Molecular Conformation / Seizures / Pyrazoles / Neuroprotective Agents / Rats / Amino Acid Profile / Molecular Conformation / Seizures / Pyrazoles / Neuroprotective Agents

2-Aryl-3,6-dialkyl-5-dialkylaminopyrimidin-4-ones as novel crf-1 receptor antagonists

Organic Chemistry / Physical Chemistry / Humans / Drug Design / Bioorganic and medicinal Chemistry / Structure activity Relationship

2-Arylpyrimidines: Novel CRF-1 receptor antagonists

Organic Chemistry / Depression / Kinetics / Pharmacokinetics / Pharmaceutical Chemistry / In Vitro / Humans / Animals / Drug Design / Solubility / In Vivo / Rats / Rat / Ether / Molecular Conformation / Bioorganic and medicinal Chemistry / Affinity / Structure activity Relationship / Chemical Synthesis / Molecular Structure / In Vitro / Humans / Animals / Drug Design / Solubility / In Vivo / Rats / Rat / Ether / Molecular Conformation / Bioorganic and medicinal Chemistry / Affinity / Structure activity Relationship / Chemical Synthesis / Molecular Structure

3D-QSAR design of novel antiepileptic sulfamides

Organic Chemistry / Epilepsy / Mice / Female / Animals / Male / Drug Design / Quantitative Structure Activity Relationship / Three Dimensional / Bioorganic and medicinal Chemistry / Structure activity Relationship / Ligands / Molecular Structure / Male / Drug Design / Quantitative Structure Activity Relationship / Three Dimensional / Bioorganic and medicinal Chemistry / Structure activity Relationship / Ligands / Molecular Structure

The rational design of amino acid sequences by artificial neural networks and simulated molecular evolution: de novo design of an idealized leader peptidase cleavage site

Algorithms / Biophysics / Molecular Evolution / Membrane Proteins / Biophysical Chemistry / Protein Engineering / Biological Sciences / Computer Simulation / Escherichia coli / Physical sciences / Drug Design / Biological evolution / CHEMICAL SCIENCES / Amino Acid Sequence / Artificial Neural Network / De Novo Design / Protein Engineering / Biological Sciences / Computer Simulation / Escherichia coli / Physical sciences / Drug Design / Biological evolution / CHEMICAL SCIENCES / Amino Acid Sequence / Artificial Neural Network / De Novo Design

Enhancement of pharmacokinetic properties and in vivo efficacy of benzylidene ketal M2 muscarinic receptor antagonists via benzamide modification

Organic Chemistry / Humans / Animals / Drug Design / Acetylcholine / Microdialysis / Rats / Bioorganic and medicinal Chemistry / Structure activity Relationship / Muscarinic Receptor / Area Under Curve / Benzamides / Microdialysis / Rats / Bioorganic and medicinal Chemistry / Structure activity Relationship / Muscarinic Receptor / Area Under Curve / Benzamides

Incomplete Protein Packing as a Selectivity Filter in Drug Design

Structure / Protein Folding / Biological Sciences / Drug Design / Proteins / CHEMICAL SCIENCES / Antineoplastic Agents / Ligands / CHEMICAL SCIENCES / Antineoplastic Agents / Ligands

Ewemen Journal of Pharmaceutics MULTI-TARGET IN-SILCO STUDY OF 5,6-DIHYDRO-2-PYRONES, INDOLE Β-DIKETO ACID, DIKETO ACID AND CARBOXAMIDE DERIVATIVES AGAINST VARIOUS ANTI- HIV-1 STRAIN AT PM3 SEMI-EMPIRICAL LEVEL

Drug Design / Quantum Modelling

PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables

Algorithms / Research Design / Animals / Drug Design / Quantitative Structure Activity Relationship / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Chemical Databases / Lethal Dose / Cyprinidae / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Chemical Databases / Lethal Dose / Cyprinidae

Cubyl amides: Novel P2X7 receptor antagonists

Organic Chemistry / Pharmaceutical Chemistry / Humans / Mice / Animals / Spinal Cord / Microglia / Drug Design / High Pressure Liquid Chromatography / Rational drug design / Amides / Rats / Molecular Conformation / Bioorganic and medicinal Chemistry / Benzamides / Spinal Cord / Microglia / Drug Design / High Pressure Liquid Chromatography / Rational drug design / Amides / Rats / Molecular Conformation / Bioorganic and medicinal Chemistry / Benzamides

Designing Antibacterial Compounds through a Topological Substructural Approach

Algorithms / Expert Systems / Chemical / Drug Design / Cluster Analysis / Quantitative Structure Activity Relationship / Anti-Bacterial Agents / THEORETICAL AND COMPUTATIONAL CHEMISTRY / Quantitative Structure Activity Relationship / Anti-Bacterial Agents / THEORETICAL AND COMPUTATIONAL CHEMISTRY

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