Search for dissertations about: "3D-QSAR"

Showing result 1 - 5 of 7 swedish dissertations containing the word 3D-QSAR.

  1. 1. A mapping of the interactions between a moth sex pheromone component and its receptor

    University dissertation from Organic Chemistry, Lund University

    Author : Anna-Lena Gustavsson; [1996]
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Organic chemistry; chiral recognition; bioactive conformation; structure-activity; Agrotis segetum; Z -5-decenyl acetate; pheromone analogues; single-cell electrophysiology; molecular mechanics; ab initio; MM3; quantum mechanical calculations; 3D-QSAR; bioisosteres; Organisk kemi;

    Abstract : Popular Abstract in Swedish Insekter kommunicerar med dofter. De artspecifika kemiska substanser som används mellan individer kallas feromoner. Hos sädesbroddflyet, Agrotis segetum, producerar honan en "parfym", ett sexualferomon som består av flera komponenter, för att locka till sig en hane. READ MORE

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

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Lovisa Afzelius; Uppsala universitet.; [2004]
    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; PHARMACY Pharmaceutical chemistry; FARMACI 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

  3. 3. Improved CoMFA Modeling by Optimization of Settings Toward the Design of Inhibitors of the HCV NS3 Protease

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Shane Peterson; Uppsala universitet.; [2007]
    Keywords : Pharmaceutical chemistry; CoMFA; 3D-QSAR; model validation; Docking; SAR; hepatitis C virus; HCV; NS3 protease inhibitor; Farmaceutisk kemi;

    Abstract : The hepatitis C virus (HCV), with a global prevalence of roughly 2%, is among the most serious diseases today. Among the more promising HCV targets is the NS3 protease, for which several drug candidates have entered clinical trials. READ MORE

  4. 4. Cyclic Sulfamide HIV-1 Protease Inhibitors Design, Synthesis and Modelling

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Anna Ax; Uppsala universitet.; [2005]
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; AIDS; HIV; protease inhibitor; aspartic protease; molecular modelling; 3D-QSAR; CoMFA; Farmaceutisk kemi; PHARMACY Pharmaceutical chemistry; FARMACI Farmaceutisk kemi;

    Abstract : Ten years ago, the first protease inhibitor targeting the human immunodeficiency virus (HIV) was approved for clinical use. Highly active antiretroviral therapy (HAART), which combined protease and reverse transcriptase inhibitors, quickly became the standard therapy for treating patients infected with HIV and Acquired Immune Deficiency Syndrome (AIDS). READ MORE

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

    University dissertation from Uppsala : Acta Universitatis Upsaliensis

    Author : Wesley Schaal; Uppsala universitet.; [2002]
    Keywords : 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; PHARMACY Pharmaceutical chemistry; FARMACI Farmaceutisk kemi; Organisk farmaceutisk kemi; Organic Pharmaceutical Chemistry;

    Abstract : 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. READ MORE