Sökning: "pharmacophore modelling"

Hittade 5 avhandlingar innehållade orden pharmacophore modelling.

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

    Författare :Lovisa Afzelius; Collen Masimirembwa; Ismael Zamora; Anders Karlén; Marcel de Groot; Uppsala universitet; []
    Nyckelord :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;

    Sammanfattning : 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. LÄS MER

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

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

    Sammanfattning : 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). LÄS MER

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

    Författare :Jakob Nilsson; Centrum för analys och syntes; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES;

    Sammanfattning : 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. LÄS MER

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

    Författare :Chunxia Gao; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Chemistry;

    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

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

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

    Sammanfattning : 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. LÄS MER