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Visar resultat 1 - 5 av 9 avhandlingar som matchar ovanstående sökkriterier.

1. 1. Computational Studies of HIV-1 Protease Inhibitors

   Författare :Wesley Schaal; Garland Marshall; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; HIV Protease; 3D-QSAR; CoMFA; Molecular Modelling; Force Field Parameterization; Quantum Mechanics; DFT; Enzyme Kinetics; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi; Organic Pharmaceutical Chemistry; Organisk farmaceutisk kemi;

   Sammanfattning : Human Immunodeficiency Virus (HIV) is the causative agent of the pandemic disease Acquired Immune Deficiency Syndrome (AIDS). HIV acts to disrupt the immune system which makes the body susceptible to opportunistic infections. Untreated, AIDS is generally fatal. LÄS MER

3. 2. Palladium-Catalysed Couplings in Organic Synthesis : Exploring Catalyst-Presenting Strategies and Medicinal Chemistry Applications

   Författare :Alejandro Trejos; Mats Larhed; Jianliang Xiao; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Mizoroki-Heck arylation; Suzuki coupling; domino reaction; stereoselective; palladium; chelation control; vinyl ether; HIV-protease inhibitors; HIV-integrase inhibitors; Kemi med inriktning mot organisk kemi; Chemistry with specialization in Organic Chemistry;

   Sammanfattning : Palladium-catalysed coupling reactions have been embraced by synthetic chemists as one of the preferred means for smooth formation of new carbon-carbon bonds: a truly ubiquitous methodology of synthesizing complex molecules.This thesis describes the study of a series of palladium(0)-catalysed C2-arylations of a 1-cyclopentenyl ether, equipped with a chiral (S)-N-methyl-pyrrolidine auxiliary. LÄS MER

4. 3. Ligand binding and enzyme catalysis studied by molecular dynamics simulations

   Författare :Tomas Hansson; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Molecular biology; molecular dynamics simulation; free energy; linear response; drug design; empirical valence bond; HIV protease; protein tyrosine phosphatase; Molekylärbiologi; Molecular biology; Molekylärbiologi; molekylärbiologi; Molecular Biology;

   Sammanfattning : Molecular dynamics simulations and free energy calculations can be applied to biomolecular systems to predict ligand binding affinities. Combined with hybrid quantum-classical potential energy surfaces, such computations can also be used to probe enzymatic catalysis mechanisms. LÄS MER

5. 4. Microwave-Assisted Synthesis of C2-Symmetric HIV-1 Protease Inhibitors : Development and Applications of In Situ Carbonylations and other Palladium(0)-Catalyzed Reactions

   Författare :Johan Wannberg; Anders Hallberg; David C. Rees; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; HIV; protease inhibitors; palladium; carbonylations; molybdenum hexacarbonyl; dihydropyrimidone; DHPM; microwave; cross-coupling; diazylhydrazines; carbon monoxide; synthesis; C2-symmetric; HIV-1 protease inhibitors; aminocarbonylation; fluorous; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi;

   Sammanfattning : The HIV protease is an essential enzyme for HIV replication and constitutes an important target in the treatment of HIV/AIDS. Efficient combination therapies using inhibitors of the reverse transcriptase and protease enzymes have led many to reevaluate HIV infections from a terminal condition to a chronic-but-manageable disease in the developed world. LÄS MER

7. 5. Identification of protease inhibitors against Flaviviruses and Coronaviruses

   Författare :Dario Akaberi; Åke Lundkvist; Johan Lennerstrand; Josef D. Järhult; Ujjwal Neogi; Uppsala universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Antiviral research; protease inhibitors; flaviviruses; coronaviruses; ZIKV; TBEV; SARS-CoV-2;

   Sammanfattning : Vector-borne flaviviruses and coronaviruses of zoonotic origins are important human pathogens and represent a serious threat to public health worldwide. Flaviviruses can be found on all continents, apart from Antarctica, where they are transmitted by arthropod vectors causing millions of infections every year. LÄS MER