Sökning: "molecular docking"

Visar resultat 6 - 10 av 98 avhandlingar innehållade orden molecular docking.

1. 6. Towards Classification and Functional Description of Enzymes: A case study of feruloyl esterases

   Författare :Gupta Udatha; Chalmers tekniska högskola; []
   Nyckelord :TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; descriptors; enzyme immobilization; catalytic triad; pharmacophore; enzyme promiscuity; functional classification; molecular docking; feruloyl esterases; protein evolution; structure-function relationship;

   Sammanfattning : The prediction of enzyme functionality from sequence or structure data remains a challenging task that can be best addressed by studying the structure-function relationships determined from previously available information. This thesis work was focused on developing a reliable classification and functional description for the feruloyl esterase (FAE) enzyme family, whose members’ possess both structural and catalytic promiscuity. LÄS MER

3. 7. Architecture and function of the insulin granule secretion machinery

   Författare :Peng Yin; Sebastian Barg; Herbert Gaisano; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Docking; Syntaxin-1A; Voltage-gated Ca2 Channels; Exocytosis; Type-2 Diabetes;

   Sammanfattning : Insulin is released into the blood stream to normalize elevated blood glucose, for example after a meal. The hormone is synthesized by β-cells in the endocrine pancreas, and stored in small vesicles, known as secretory granules, until required. When glucose is elevated, these granules undergo regulated exocytosis and thereby secrete the hormone. LÄS MER

4. 8. Mutational Analysis and Redesign of Alpha-class Glutathione Transferases for Enhanced Azathioprine Activity

   Författare :Olof Modén; Bengt Mannervik; Mikael Widersten; Kenneth Tew; Uppsala universitet; []
   Nyckelord :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;

   Sammanfattning : 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. LÄS MER

5. 9. Identification of SLiMs: Mapping and characterizing motif-based protein interactions

   Författare :Muhammad Ali; Ylva Ivarsson; Shoshana Wodak; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Phage display; protein-protein interactions; short linear motifs; PDZ; FERM; affinity; x-ray crystallization; molecular docking; NLS;

   Sammanfattning : During the last twenty years it has become evident that about 35-40% of amino acids in the proteome are in regions that have evolved to remain unstructured. These intrinsically disordered regions contain short linear motifs (SLiMs), which serve as docking sites for protein-protein interactions. LÄS MER

7. 10. Directed Evolution of Glutathione Transferases with Altered Substrate Selectivity Profiles : A Laboratory Evolution Study Shedding Light on the Multidimensional Nature of Epistasis

   Författare :Wei Zhang; Bengt Mannervik; Bengt-Harald Jonsson; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; glutathione transferase; azathioprine; directed evolution; semi-rational design; catalytic mechanism; saturation mutagenesis; reduced amino acid alphabets; molecular docking; protein evolution; multivariate data analysis; epistasis; fitness landscape; evolutionary trajectories; Biochemistry; Biokemi; Biokemi; Biochemistry;

   Sammanfattning : Directed evolution is generally regarded as a useful approach in protein engineering. By subjecting members of a mutant library to the power of Darwinian evolution, desired protein properties are obtained. Numerous reports have appeared in the literature showing the success of tailoring proteins for various applications by this method. LÄS MER