Search for dissertations about: "structure-based design"

Showing result 1 - 5 of 57 swedish dissertations containing the words structure-based design.

  2. 1. Structure-based Virtual Screening for Ligands of G Protein-coupled Receptors : Design of Allosteric and Dual-Target Modulators

    Author : Stefanie Kampen; Jens Carlsson; Peter Kolb; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; G protein-coupled receptors; Polypharmacology; Molecular Docking; Structure-based Drug Design; Parkinson’s Disease; Virtual Screening; Allosteric Modulators; Bioinformatics; Bioinformatik;

    Abstract : G protein-coupled receptors (GPCRs) are integral membrane proteins responsible for signal transduction of extracellular stimuli into the cell. Because of their widespread distribution throughout the human body and important roles in physiological processes, GPCRs are prominent drug targets and approximately 34% of all approved drugs interact with members of this superfamily. READ MORE

  4. 2. Disarming bacteria : a structure-based approach to design an anti-virulence drug against Listeria monocytogenes

    Author : Melanie Oelker; A. Elisabeth Sauer-Eriksson; Fredrik Almqvist; Karina Persson; Tiziano Tuccinardi; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; antibiotic resistances; anti-virulence drug; Listeria monocytogenes; virulence regulation; PrfA; structure-based drug design; ring-fused 2-pyridones; allosteric regulation; Biochemistry; biokemi; medicinal chemistry; läkemedelskemi; molekylär cellbiologi; molecular cell biology; medicinsk biokemi; Medical Biochemistry; molekylärbiologi; Molecular Biology;

    Abstract : Antibiotic resistances are one of the biggest threats to global health and if we don’t change our behavior and way of using antibiotics we will end up in a ‘post-antibiotic era’, in which common infections and minor injuries can once kill again and up to 10 million deaths per year may occur by 2050. Therefore, there is a high need for new anti-bacterial drugs, especially of alternatives to existing antibiotics with already described resistances. READ MORE

  5. 3. Design, Synthesis and Thermodynamic Studies of Galectin Ligands

    Author : Maria Luisa Verteramo; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; galectin; conformational entropy; solvation; thermodynamic; interaction; molecular recognition; thiodigalactoside; diastereomer; structure-based design;

    Abstract : The signaling within and between cells in biology is governed by molecular recognition between natural or synthetic ligands and proteins. This thesis project aimed to investigate the thermodynamic properties of specific interaction between synthetic ligands and galectin proteins. READ MORE

  6. 4. New alternatives to combat Listeria monocytogenes and Chlamydia trachomatis : Design, synthesis, and evaluation of substituted ring-fused 2-pyridones as anti-virulent agents

    Author : Martina Kulén; Fredrik Almqvist; Anna Linusson Jonsson; Fritiof Pontén; Morten B. Strøm; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Antibiotic resistance; anti-virulence; Listeria monocytogenes; Chlamydia trachomatis; ring-fused 2-pyridone; organic synthesis; structure-based design; PrfA; drug design; structure-activity relationship;

    Abstract : Antibiotic resistance has become a global health burden with the number of resistant bacteria continuously increasing. Antibiotic drugs act by being either bactericidal (killing bacteria) or bacteriostatic (inhibiting growth of bacteria). However, these modes of action increase the selective pressure on the bacteria. READ MORE

  7. 5. Molecular simulations of G protein-coupled receptors : A journey into structure-based ligand design and receptor function

    Author : Pierre Matricon; Jens Carlsson; Bjørn Olav Brandsdal; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; G Protein-Coupled Receptor; Molecular Dynamics Simulations; Free Energy Perturbation; Ligand Binding; Fragment-Based Lead Discovery; Molecular Docking Screens; Homology Modeling; GPCR Activation Mechanism; Biology with specialization in Molecular Biotechnology; Biologi med inriktning mot molekylär bioteknik;

    Abstract : The superfamily of G protein-coupled receptors (GPCRs) contains a large number of important drug targets. These cell surface receptors recognize extracellular signaling molecules, which stimulates intracellular pathways that play major roles in human physiology. READ MORE