Search for dissertations about: "läkemedelsdesign"

Found 4 swedish dissertations containing the word läkemedelsdesign.

  2. 1. A multivariate approach to characterization of drug-like molecules, proteins and the interactions between them

    Author : Anton Lindström; Anna Linusson; Fredrik Almqvist; Anders Karlén; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; binding affinity; prediction; CAMD; principal component analysis PCA ; partial least squares projections to latent structures PLS ; MM-GB-SA; MM-PB-SA; docking; geometry optimization; protein secondary structure characterization; implicit solvent; generalized-Born; Poisson-Boltzmann; molecular mechanics MM ; drug discovery; bindningsaffinitet; prediktion; dockning; geometrioptimering; sekundärstruktur; matematisk vattenmodel; generalized-Born; Poisson-Boltzmann; molekylmekanik MM ; läkemedelsdesign; principal komponent analys PCA ; partial least squares projections to latent structures PLS ; MM-GB-SA; MM-PB-SA; Other chemistry; Övrig kemi;

    Abstract : En sjukdom kan många gånger härledas till en kaskadereaktion mellan proteiner, co-faktorer och substrat. Denna kaskadreaktion blir många gånger målet för att behandla sjukdomen med läkemedel. För att designa nya läkemedelsmoleyler används vanligen datorbaserade verktyg. READ MORE

  4. 2. C1 Building Blocks: New Approaches for Thiomethylations and Esterification

    Author : Marcus Söderström; Luke R. Odell; Anders Karlén; Vittorio Pace; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Borontrifluoride; Dimethylsulfide; Thiomethylation; Methylthioethers; Dithioacetalation; Methyl-Dithioacetals; Friedel-Crafts; Diarylmethanes; Defluorination; Methyl-Dithioesters; Thioamides; Diazomethane; Esterification; Medicinal Chemistry; Läkemedelskemi; Medicinal Chemistry; Läkemedelskemi;

    Abstract : The thioether motif is found in numerous pharmaceuticals. The simplest form of this motif, the methyl-thioether is similarly found in many biologically active compounds and has exhibited many advantageous properties. The installation of the thiomethyl moiety can be troublesome due to the toxicity and malodor of small sulfur reagents. READ MORE

  5. 3. Computational Studies of Chemical Interactions: Molecules, Surfaces and Copper Corrosion

    Author : Joakim Halldin Stenlid; Tore Brinck; Thomas Bligaard; KTH; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; computational chemistry; density functional theory; chemical interactions; reactivity descriptors; copper corrosion; surface and materials science; nucleophilic substitution reactions; heterogeneous catalysis; transition metal oxides; nanotechnology; beräkningskemi; täthetsfunktionalteori; kemiska interaktioner; reaktivitetsdeskriptorer; kopparkorrosion; yt- och materialvetenskap; nukleofila substitutionsreaktioner; heterogen katalys; överångsmetalloxider; nanoteknologi; Kemi; Chemistry;

    Abstract : The chemical bond – a corner stone in science and a prerequisite for life – is the focus of this thesis. Fundamental and applied aspects of chemical bonding are covered including the development of new computational methods for the characterization and rationalization of chemical interactions. READ MORE

  6. 4. Acetals - Exploring reactivity for improved carbohydrate synthesis

    Author : Markus Ohlin; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : In my research, I have explored various aspects of acetals and their reactivity. Acetals have a central role in carbohydrate chemistry as an inherent functionality and as versatile protecting groups. The first part of the thesis summarizes results on regioselective reductive openings of benzylidene acetals. READ MORE