Search for dissertations about: "plasmepsins"

Showing result 1 - 5 of 6 swedish dissertations containing the word plasmepsins.

  1. 1. Binding Free Energy Calculations on Ligand-Receptor Complexes Applied to Malarial Protease Inhibitors

    Author : Martin Nervall; Johan Åqvist; Jonathan Essex; Uppsala universitet; []
    Keywords : Molecular biology; Plasmodium falciparum; plasmepsins; linear interaction energy; docking; HIV1 reverse trancriptase; Molekylärbiologi;

    Abstract : Malaria is a widespread disease caused by parasites of the genus Plasmodium. Each year 500 million clinical cases are reported resulting in over one million casualties. The most lethal species, P. falciparum, accounts for ~90% of the fatal cases and has developed resistance to chloroquine. READ MORE

  2. 2. Design and Synthesis of Malarial Aspartic Protease Inhibitors

    Author : Karolina Ersmark; Anders Hallberg; Michael Rowley; Uppsala universitet; []
    Keywords : MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; malaria; plasmepsin; aspartic protease; protease inhibitor; macrocycle; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi;

    Abstract : Malaria is one of the major public health problems in the world. Approximately 500 million people are afflicted and almost 3 million people die from the disease each year. Of the four causative species Plasmodium falciparum is the most lethal. READ MORE

  3. 3. Computational Studies of Enzymatic Enolization Reactions and Inhibitor Binding to a Malarial Protease

    Author : Isabella Feierberg; Modesto Orozco; Uppsala universitet; []
    Keywords : NATURAL SCIENCES; NATURVETENSKAP; NATURVETENSKAP; NATURAL SCIENCES; Theoretical chemistry; enzyme mechanism; enolate; molecular dynamics; empirical valence bond; glyoxalase I; ketosteroid isomerase; triosephosphate isomerase; malaria; aspartic protease; plasmepsin; linear interaction energy; drug design; Teoretisk kemi; Theoretical chemistry; Teoretisk kemi; Molecular Biotechnology; Molekylär bioteknik;

    Abstract : Enolate formation by proton abstraction from an sp3-hybridized carbon atom situated next to a carbonyl or carboxylate group is an abundant process in nature. Since the corresponding nonenzymatic process in water is slow and unfavorable due to high intrinsic free energy barriers and high substrate pKa s, enzymes catalyzing such reaction steps must overcome both kinetic and thermodynamic obstacles. READ MORE

  4. 4. Molecular Simulation of Enzyme Catalysis and Inhibition

    Author : Sinisa Bjelic; Johan Åqvist; Adrian J. Mulholland; Uppsala universitet; []
    Keywords : Theoretical chemistry; enzyme catalysis; enzyme inhibition; computer simulations; molecular dynamics; empirical valence bond method; structure-based inhibitor design; Teoretisk kemi;

    Abstract : The reaction mechanisms for the hemoglobin degrading enzymes in the Plasmodium falciparum malaria parasite, plasmepsin II (Plm II) and histo-aspartic protease (HAP), have been analyzed by molecular simulations. The reaction free energy profiles, calculated by the empirical valence bond (EVB) method in combination with molecular dynamics (MD) and free energy perturbation (FEP) simulations are in good agreement with experimental data. READ MORE

  5. 5. Design and synthesis of aspartyl protease inhibitors : Targeting HIV-1 and malaria plasmepsin I and II

    Author : Daniel Nöteberg; Charles Hedgecock; Uppsala universitet; []
    Keywords : MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi; Medicine; medicin;

    Abstract : Aspartyl proteases can generally be inhibited by peptide mimics containing an uncleavable peptide bond isostere at the proposed cleavage site. One such peptide bond isostere is the hydroxyethylamine moiety, which in this thesis has successfully been incorporated in potential inhibitors of the HIV-1-protease as well as the malarial proteases plasmepsin I and II. READ MORE