Sökning: "Anna Linusson Jonsson"

Visar resultat 1 - 5 av 6 avhandlingar innehållade orden Anna Linusson Jonsson.

  1. 1. Multivariate design of molecular docking experiments : An investigation of protein-ligand interactions

    Författare :David Andersson; Anna Linusson Jonsson; Gabriele Cruciani; Umeå universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Molecular docking; chemometrics; multivariate analysis; principal component analysis; PCA; design of experiments; DoE; partial least-square projections to latent structures; PLS; scoring functions; ligand-binding cavity; major histocompatibility complex; MHC; glycopeptide; T-cell.; Pharmaceutical chemistry; Läkemedelskemi; datorlingvistik; computational linguistics;

    Sammanfattning : To be able to make informed descicions regarding the research of new drug molecules (ligands), it is crucial to have access to information regarding the chemical interaction between the drug and its biological target (protein). Computer-based methods have a given role in drug research today and, by using methods such as molecular docking, it is possible to investigate the way in which ligands and proteins interact. LÄS MER

  3. 2. Modified Glycopeptides Targeting Rheumatoid Arthritis : Exploring molecular interactions in class II MHC/glycopeptide/T-cell receptor complexes

    Författare :Ida E. Andersson; Jan Kihlberg; Anna Linusson Jonsson; Craig Crews; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Major histocompatibility complex; class II MHC; T-cell receptor; rheumatoid arthritis; collagen-induced arthritis; glycopeptide; amide bond isostere; comparative modeling; rational design; molecular docking; molecular dynamics simulation; statistical molecular design; Bioorganic chemistry; Bioorganisk kemi; organisk kemi; Organic Chemistry; Biorganic Chemistry; bioorganisk kemi; datorlingvistik; computational linguistics;

    Sammanfattning : Rheumatoid arthritis (RA) is an autoimmune inflammatory disease that leads to degradation of cartilage and bone mainly in peripheral joints. In collagen-induced arthritis (CIA), a mouse model for RA, activation of autoimmune CD4+ T cells depends on a molecular recognition system where T-cell receptors (TCRs) recognize a complex between the class II MHC Aq protein and CII259-273, a glycopeptide epitope from type II collagen (CII). LÄS MER

  4. 3. Redefining the essential molecular aspects that drive interactions between small molecules and G-quadruplex DNA

    Författare :Måns Andréasson; Erik Chorell; Anna Linusson Jonsson; Jan Kihlberg; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; G-Quadruplexes; DNA; Oncogenes; G4 ligands; heterocycles; macrocycles; organic synthesis; molecular interactions; rational compound design; medicinal chemistry.; medicinal chemistry; läkemedelskemi; organisk kemi; Organic Chemistry;

    Sammanfattning : G-Quadruplex (G4) structures are secondary nucleic acid structures located in guanine-rich regions of DNA and RNA sequences, involved in gene regulation and cellular maintenance. Efforts to target G4s in a therapeutic setting are scarce, mainly due to vague details about the binding interactions between the ligands and the G4 structure combined with the lack of emphasis on drug-like properties early in the ligand development process. LÄS MER

  5. 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

  7. 5. Regulation of the multi-functional protein YscU in assembly of the Yersinia type III secretion injectisome

    Författare :Ho Ngoc Hoang Oanh; Magnus Wolf-Watz; Anna Linusson Jonsson; Maria Sunnerhagen; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Type III secretion system T3SS ; injectisome; Yersinia pseudotuberculosis; inhibitors; Yops; YscU; YscP; YscI; disorder-to-order transition; nuclear magnetic resonance NMR ; circular dichroism CD ; isothermal titration calorimetry ITC ; biologisk kemi; biological chemistry;

    Sammanfattning : Yersinia pseudotuberculosis is a Gram-negative zoonotic pathogenic bacterium causing gastroenteritis in human and animals. It shares a conserved virulence plasmid encoding for a needle-like secretion machinery, or type III secretion system, which can be found in other pathogenic Gram-negative bacteria. LÄS MER