Sökning: "structure-based inhibitor design"
Visar resultat 1 - 5 av 12 avhandlingar innehållade orden structure-based inhibitor design.
1. Structure-Based Design and Synthesis of Protease Inhibitors Using Cycloalkenes as Proline Bioisosteres and Combinatorial Syntheses of a Targeted Library
Sammanfattning : Structure-based drug design and combinatorial chemistry play important roles in the search for new drugs, and both these elements of medicinal chemistry were included in the present studies. This thesis outlines the synthesis of protease inhibitors against thrombin and the HCV NS3 protease, as well as the synthesis of a combinatorial library using solid phase chemistry. LÄS MER
2. Molecular Simulation of Enzyme Catalysis and Inhibition
Sammanfattning : 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. LÄS MER
3. Polyamine Pathway as Drug Target against Malaria
Sammanfattning : Malaria, caused by the protozoan parasite Plasmodium falciparum is responsible for about 600.000 death cases every year. Mainly affected are populations of subtropical countries in Africa and the largest groups of victims are children below the age of 5 years. LÄS MER
4. Computer-aided drug design approaches in developing anti-cancer inhibitors
Sammanfattning : The thesis entitled “computer-aided drug design approaches in developing anti-cancer drug” is divided into a total of six chapters. In the first chapter, an overview of drug discovery and development are introduced. LÄS MER
5. Design and Synthesis of Novel Glutamine Synthetase Inhibitors and Development of Palladium(0)-Catalyzed Aminocarbonylation
Sammanfattning : Tuberculosis (TB) is a major infectious disease, killing about 2 million people annually throughout the world. Today's TB treatment is a lengthy procedure involving a combination of antibiotics. No new TB drug has been introduced onto the market in the past 40 years, and the emergence of multi- and extensively drug-resistant TB calls for new drugs. LÄS MER