Sökning: "oxyanion hole."

Visar resultat 1 - 5 av 8 avhandlingar innehållade orden oxyanion hole..

  1. 1. Rational redesign of Candida antarctica lipase B

    Författare :Anders Magnusson; Karl Hult; Bernhard Hauer; KTH; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Biochemistry; Candida antarctica lipase B; rational redesign; secondary alcohols; substrate-assisted catalysis; S-selective; entropy; aldolase; stereospecificity pocket; oxyanion hole.; Biokemi; Biochemistry; Biokemi;

    Sammanfattning : This thesis describes the use of rational redesign to modify the properties of the enzyme Candida antarctica lipase B. Through carefully selected single-point mutations, we were able to introduce substrate-assisted catalysis and to alter the reaction specificity. LÄS MER

  3. 2. Computational Studies and Design of Biomolecular Diels-Alder Catalysis

    Författare :Mats Linder; Tore Brinck; Kendall N. Houk; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Computational chemistry; density functional theory; enzyme design; molecular modeling; organocatalysis; stepwise Diels-Alder; oxyanion hole;

    Sammanfattning : The Diels-Alder reaction is one of the most powerful synthetic tools in organic chemistry, and asymmetric Diels-Alder catalysis allows for rapid construction of chiral carbon scaffolds. For this reason, considerable effort has been invested in developing efficient and stereoselective organo- and biocatalysts. LÄS MER

  4. 3. Lipase and ω-Transaminase : Biocatalytic Investigations

    Författare :Maria Svedendahl; Per Berglund; Stefan Stefan Lutz; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Candida antarctica lipase B; enzyme catalysis; enzyme catalytic promiscuity; molecular modeling; ω-transaminase; Biochemistry; Biokemi;

    Sammanfattning : In a lipase investigation, Candida antarctica lipase B (CALB) are explored for enzyme catalytic promiscuity. Enzyme catalytic promiscuity is shown by enzymes catalyzing alternative catalytic transformations proceeding via different transition state structures than normal. LÄS MER

  5. 4. Improved CoMFA Modeling by Optimization of Settings : Toward the Design of Inhibitors of the HCV NS3 Protease

    Författare :Shane Peterson; Anders Karlén; Anja Sandström; Ulf Norinder; Uppsala universitet; []
    Nyckelord :Pharmaceutical chemistry; CoMFA; 3D-QSAR; model validation; Docking; SAR; hepatitis C virus; HCV; NS3 protease inhibitor; Farmaceutisk kemi;

    Sammanfattning : The hepatitis C virus (HCV), with a global prevalence of roughly 2%, is among the most serious diseases today. Among the more promising HCV targets is the NS3 protease, for which several drug candidates have entered clinical trials. LÄS MER

  7. 5. Tunnels and Grooves : Structure-Function Studies in Two Disparate Enzymes

    Författare :Daniel Ericsson; Sherry Mowbray; Guy Dodson; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Mycobacterium tuberculosis; ribonucleotide reductase; peptide inhibitors; fluorescence polarization; lipase; interfacial activation; hydrolase; X-ray structure; substrate specificity; Structural biology; Strukturbiologi;

    Sammanfattning : This thesis describes structural and binding studies in enzymes from two different  organisms: ribonucleotide reductase from Mycobacterium tuberculosis (RNR) and lipase A from Candida antarctica (CalA).RNR is viable as a target for new drugs against the causative agent of tuberculosis. LÄS MER