Search for dissertations about: "pharmacophore modelling"

Found 5 swedish dissertations containing the words pharmacophore modelling.

  2. 1. Computational Modelling of Structures and Ligands of CYP2C9

    Author : Lovisa Afzelius; Collen Masimirembwa; Ismael Zamora; Anders Karlén; Marcel de Groot; Uppsala universitet; []
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; CYP2C9; 3D QSAR; GRID; CYP450; pharmacophore modelling; homology modelling; metabolism; competitive inhibitors; CPCA; molecular dynamics simulations; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi; Medicinal Chemistry; läkemedelskemi;

    Abstract : CYP2C9 is one of our major drug metabolising enzymes and belongs to the cytochrome P450 (CYP) super family. The aim of this thesis was to gain an understanding of the quantitative structure–activity relationships (QSAR) of CYP2C9 substrates and inhibitors. READ MORE

  4. 2. Pharmacophore Refinement and Lead Optimization - A study of the benzodiazepine site of the GABAA receptors

    Author : Erik Lager; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Organisk kemi; Organic chemistry; Naturvetenskap; Natural science; Quinolone; Flavone; Pharmacophore; GABA; Benzodiazepine;

    Abstract : Structure activity relationship studies of synthetic flavone derivatives have been utilized to refine and evaluate a pharmacophore model of the benzodiazepine binding site of the GABAA receptors, originally developed by Zhang et al. (Drug Des. Discovery 1995, 12, 193-248). READ MORE

  5. 3. The GABAA Receptor as Target for Novel Heterocyclic Compounds

    Author : Jakob Nilsson; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : Ligands for the benzodiazepine-binding site of the GABAA receptor can belong to structurally diverse classes of compounds including, in spite of the name of the binding site, many non-benzodiazepine structures. The GABAA receptor is a ligand-gated ion channel assembled of five subunits from eight different classes with multiple isoforms. READ MORE

  6. 4. Computer-aided drug design approaches in developing anti-cancer inhibitors

    Author : Chunxia Gao; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Chemistry;

    Abstract : 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. READ MORE

  7. 5. Ion channels in drug discovery : focus on biological assays

    Author : Kim Dekermendjian; Karolinska Institutet; Karolinska Institutet; []
    Keywords : Ion channels; GABAA receptor; sodium channels; TRPM8; drug discovery; high throughput screening assays; FLIPR; automated electrophysiology;

    Abstract : Ion channels are well characterised drug targets. However, the techniques used to study ion channel pharmacology have not been particularly applicable to modern drug discovery. READ MORE