Drug Design

The TB Structural Genomics Consortium: A decade of progress

Genomics / Drug Discovery / International Cooperation / Structural Genomics / Macromolecular X-Ray Crystallography / Tuberculosis / Humans / Mycobacterium tuberculosis / SAXS / TB / Nmr / Magnetic Resonance / Drug Design / PPI / Protein structure / Protein Interaction / NAD / X Ray Crystallography / PDB / Tuberculosis / Humans / Mycobacterium tuberculosis / SAXS / TB / Nmr / Magnetic Resonance / Drug Design / PPI / Protein structure / Protein Interaction / NAD / X Ray Crystallography / PDB

A convenient synthesis of C-galactofuranosylic compounds (C-galactofuranosides)

Organic Chemistry / Nitriles / Drug Design / Hydrolysis / Carbohydrate / Furans / Methyl Ester / Biochemistry and cell biology / Furans / Methyl Ester / Biochemistry and cell biology

Structure-based design of indole propionic acids as novel PPARα/γ co-agonists

Organic Chemistry / X Rays / Propionic Acid / Drug Design / Nuclear Hormone Receptors / X ray diffraction / PPAR / Bioorganic and medicinal Chemistry / Type 2 Diabetes Mellitus / Structure activity Relationship / Complex Structure / Nuclear hormone receptor / Molecular Structure / X ray diffraction / PPAR / Bioorganic and medicinal Chemistry / Type 2 Diabetes Mellitus / Structure activity Relationship / Complex Structure / Nuclear hormone receptor / Molecular Structure

GPR119 as a fat sensor

Biological Sciences / Humans / Mice / G protein-coupled receptors / Animals / Drug Design / Oral Hypoglycemic Agents / Type 2 Diabetes Mellitus / Trends In Pharmacological Sciences / Molecular Targeted Therapy / Drug Design / Oral Hypoglycemic Agents / Type 2 Diabetes Mellitus / Trends In Pharmacological Sciences / Molecular Targeted Therapy

Design of bioavailable derivatives of 12-(3-adamantan-1-yl-ureido)dodecanoic acid, a potent inhibitor of the soluble epoxide hydrolase

Organic Chemistry / Enzyme Inhibitors / Humans / Mice / Blood Pressure / Animals / Male / Drug Design / Solubility / Time Factors / Functional Group / Bioorganic and medicinal Chemistry / Structure activity Relationship / Adamantane / Physical Properties / Molecular Structure / Animals / Male / Drug Design / Solubility / Time Factors / Functional Group / Bioorganic and medicinal Chemistry / Structure activity Relationship / Adamantane / Physical Properties / Molecular Structure

Structural genomics of Mycobacterium tuberculosis: a preliminary report of progress at UCLA

Structural Biology / Genomics / Proteomics / Biophysical Chemistry / Structural Genomics / Protein Targeting / Biological Sciences / Glutamate / Tuberculosis / Mycobacterium tuberculosis / Physical sciences / Drug Design / Drug Delivery Systems / CHEMICAL SCIENCES / Thioredoxin / Protein Conformation / Drug Targeting / Structure Determination / Protein Targeting / Biological Sciences / Glutamate / Tuberculosis / Mycobacterium tuberculosis / Physical sciences / Drug Design / Drug Delivery Systems / CHEMICAL SCIENCES / Thioredoxin / Protein Conformation / Drug Targeting / Structure Determination

GAMESS As a Free Quantum-Mechanical Platform for Drug Research

Computational Biology / Quantum Theory / Drug Discovery / Software / Drug Design / Protein Binding / Ligands / Protein Binding / Ligands

Systems biology approaches to new vaccine development

Immunology / Vaccines / Systems Biology / Proteomics / System Biology / Humans / Animals / Drug Design / Humans / Animals / Drug Design

Thrombin inhibitors identified by computer-assisted multiparameter design

Crystallography / Computer Aided Design / Multidisciplinary / Genetic Algorithm / X Rays / Drug Design / Peptides / Rat Model / Drug Design / Peptides / Rat Model

A B-cell mitogen from a pathogenic trypanosome is a eukaryotic proline racemase

Mice / Animals / Drug Design / Immune Evasion / Molecular cloning / Mouse Model / Active site / Trypanosoma Cruzi / Amino Acid Profile / B Lymphocytes / Molecular weight / Amino Acid Sequence / Base Sequence / Molecular Sequence Data / Mouse Model / Active site / Trypanosoma Cruzi / Amino Acid Profile / B Lymphocytes / Molecular weight / Amino Acid Sequence / Base Sequence / Molecular Sequence Data

Substituted structures tryptophol, phenylethanol, 1,3 dioxolane as pro-psychedelics nature.

Psychedelics / Drug Design

A regiospecific synthesis of a series of 1-sulfonyl azepinoindoles as potent 5-HT6 ligands

Organic Chemistry / Kinetics / Pharmaceutical Chemistry / Humans / Drug Design / Serotonin Receptors / Bioorganic and medicinal Chemistry / Structure activity Relationship / Protein Binding / Ligands / Molecular Structure / Tryptamines / Serotonin Receptors / Bioorganic and medicinal Chemistry / Structure activity Relationship / Protein Binding / Ligands / Molecular Structure / Tryptamines

Structural features of a central mismatch in oligonucleotide hybrid duplexes visualized via Raman spectroscopy: Model system for evaluation of potential “antisense” drugs

Thermodynamics / Biological Sciences / Biopolymers / Drug Design / CHEMICAL SCIENCES / Drug evaluation / Nucleic Acid Conformation / Drug evaluation / Nucleic Acid Conformation

Discovery of a series of aminopiperidines as novel iNOS inhibitors

Organic Chemistry / Enzyme Inhibitors / In Vitro / Humans / Amines / Blood Pressure / Drug Design / Active site / Nitric Oxide Synthase / Bioorganic and medicinal Chemistry / Structure activity Relationship / Isozyme / Chemical Synthesis / Selectivity / Piperidines / Blood Pressure / Drug Design / Active site / Nitric Oxide Synthase / Bioorganic and medicinal Chemistry / Structure activity Relationship / Isozyme / Chemical Synthesis / Selectivity / Piperidines

Discovery of a series of aminopiperidines as novel iNOS inhibitors

Organic Chemistry / Enzyme Inhibitors / In Vitro / Humans / Amines / Blood Pressure / Drug Design / Active site / Nitric Oxide Synthase / Bioorganic and medicinal Chemistry / Structure activity Relationship / Isozyme / Chemical Synthesis / Selectivity / Piperidines / Blood Pressure / Drug Design / Active site / Nitric Oxide Synthase / Bioorganic and medicinal Chemistry / Structure activity Relationship / Isozyme / Chemical Synthesis / Selectivity / Piperidines

IRAK-4 inhibitors. Part 1: A series of amides

Organic Chemistry / Enzyme Inhibitors / Humans / Drug Design / SAR / Solubility / Docking / Amides / Pyridines / Bioorganic and medicinal Chemistry / Structure activity Relationship / Molecular Structure / Suzuki Reaction / Solubility / Docking / Amides / Pyridines / Bioorganic and medicinal Chemistry / Structure activity Relationship / Molecular Structure / Suzuki Reaction

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