Search for dissertations about: "Molecular docking crystallography"

Showing result 1 - 5 of 6 swedish dissertations containing the words Molecular docking crystallography.

  2. 1. Mutational Analysis and Redesign of Alpha-class Glutathione Transferases for Enhanced Azathioprine Activity

    Author : Olof Modén; Bengt Mannervik; Mikael Widersten; Kenneth Tew; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; allelic variants; azathioprine; bioactivation; chimeric mutagenesis; directed evolution; DNA shuffling; enzyme engineering; glutathione transferase; GST; lysate screening; molecular docking; multiple alignment; multivariate analysis; polymorphism; principal component analysis; prodrug; prodrug activation; protein engineering; protein redesign; reduced amino acid alphabet; saturation mutagenesis; semi-rational enzyme engineering; site-directed mutagenesis; structure-activity relationship; structure-based redesign; Biokemi; Biochemistry;

    Abstract : Glutathione transferase (GST) A2-2 is the human enzyme most efficient in catalyzing azathioprine activation. Structure-function relationships were sought explaining the higher catalytic efficiency compared to other alpha class GSTs. READ MORE

  4. 2. From Time-Averaged to Time-Resolved Crystallography: Studies on Superoxide Dismutase and Myoglobin

    Author : Thomas Ursby; Lunds universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; superoxide dismutase; Bayesian statistics; electron difference maps; synchrotron; docking site; photolysis; myoglobin; Time-resolved crystallography; Laue; thermostability; Sulfolobus solfataricus; Molecular biophysics; Molekylär biofysik;

    Abstract : We have studied protein motions with nanosecond time-resolved crystallography. The release of carbon monoxide from its complex with myoglobin (MbCO) was triggered by nanosecond laser pulses. X-ray data were collected with time delays ranging from 4 ns to 1.9 ms using the Laue method, at the European Synchrotron Radiation Facility in Grenoble. READ MORE

  5. 3. Structural and functional studies of proteins of medical relevance : Protein-ligand complexes in cancer and novel structural folds in bacteria

    Author : Robert Gustafsson; Pål Stenmark; Pavlína Řezáčová; Stockholms universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; X-ray crystallography; Cancer; MTH1; oxidised nucleotides; MTHFD2; nucleotide metabolism; one-carbon metabolism; Botulism; Botulinum neurotoxin; OrfX; OrfX gene cluster; Biochemistry; biokemi;

    Abstract : X-ray crystallography is a tool for determining the structures of proteins and protein-ligand complexes. In this thesis the method has been employed to study several proteins of medical relevance.Cancer is a terrible disease, severely impacting those affected, as well as their family and friends. READ MORE

  6. 4. Leukotriene A4 hydrolase : studies of structure-function relationships by site-directed mutagenesis and X-ray crystallography

    Author : Peter C Rudberg; Karolinska Institutet; Karolinska Institutet; []
    Keywords : ;

    Abstract : Inflammation is the pathophysiological mechanism by which an organism clears and rebuilds a site of infection or injury. It is also the characteristic feature of a multitude of severe diseases, with the potential of afflicting almost any organ system. READ MORE

  7. 5. Discovery of Chemical Probes through Structure-based Virtual Screening of Vast Compound Databases

    Author : Andreas Luttens; Jens Carlsson; Vsevolod Katritch; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : Bioactive molecules have traditionally been discovered through labor-intensive screening methods in which individual compounds are tested against specific protein targets or cells to identify those that produce the desired biological effect. However, these approaches have significant limitations. READ MORE