Sökning: "Structure-based Drug Design"

Visar resultat 1 - 5 av 39 avhandlingar innehållade orden Structure-based Drug Design.

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

    Författare :Melanie Oelker; A. Elisabeth Sauer-Eriksson; Fredrik Almqvist; Karina Persson; Tiziano Tuccinardi; Umeå universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

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

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

    Sammanfattning : 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. LÄS MER

  3. 3. Computational Modelling in Drug Discovery : Application of Structure-Based Drug Design, Conformal Prediction and Evaluation of Virtual Screening

    Författare :Martin Lindh; Anders Karlén; Antti Poso; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; drug discovery; docking; virtual screening; tuberculosis; conformal prediction;

    Sammanfattning : Structure-based drug design and virtual screening are areas of computational medicinal chemistry that use 3D models of target proteins. It is important to develop better methods in this field with the aim of increasing the speed and quality of early stage drug discovery. LÄS MER

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

    Författare :Martina Kulén; Fredrik Almqvist; Anna Linusson Jonsson; Fritiof Pontén; Morten B. Strøm; Umeå universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

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

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

    Sammanfattning : 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. LÄS MER