Search for dissertations about: "virtual screening"

Showing result 11 - 15 of 37 swedish dissertations containing the words virtual screening.

  2. 11. Drug discovery against leishmaniasis : Bio- and chemoinformatic guided strategies for target evaluation and hit identification

    Author : Elisabet Vikeved; UCM Alsmark; Christian Sköld; David Horn; Uppsala universitet; []
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Leishmaniasis; Drug discovery; Lateral gene transfer; Comparative genomics; Virtual screening; Target fishing; Marine natural products;

    Abstract : Leishmaniasis is a neglected tropical disease mainly affecting poor people in developing countries. It is caused by infections of flagellated protozoa belonging to genus Leishmania. The few available drugs are associated with problems such as low effectiveness, severe side effects and resistance development. READ MORE

  4. 12. In silico Identification of Thyroid Disrupting Chemicals : among industrial chemicals and household dust contaminants

    Author : Jin Zhang; Patrik Andersson; A. Elisabeth Sauer-Eriksson; Liang-Hong Guo; Umeå universitet; []
    Keywords : MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Thyroid disruption chemicals; virtual screening; tranthyretin; thyroid hormone receptor; QSAR modeling; molecular docking; molecular dynamics;

    Abstract : Thyroid disruptions by xenobiotics have been associated with a broad spectrum of severe adverse human health effects, such as impaired brain development and metabolic syndrome. Ingestion of indoor dust and contact with industrial chemicals are two significant human exposure routes of thyroid hormone disrupting chemicals (THDCs), raising serious concerns for human health. READ MORE

  5. 13. Mutational effects on protein structure and function

    Author : Jonas Carlsson; Persson Bengt; Uwe Sauer; Linköpings universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Mutation; prediction; phenotypes; homology model; virtual screening; molecular dynamics; amyloid; cancer; membrane protein; Bioinformatics; Bioinformatik;

    Abstract : In this thesis several important proteins are investigated from a structural perspective. Some of the proteins are disease related while other have important but not completely characterised functions. READ MORE

  6. 14. Discovery of Chemical Probes through Structure-based Virtual Screening of Vast Compound Databases

    Author : Andreas Luttens; Jens Carlsson; Vsevolod Katritch; Uppsala universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES;

    Abstract : Bioactive molecules have traditionally been discovered through labor-intensive screening methods in which individual compounds are tested against specific protein targets or cells to identify those that produce the desired biological effect. However, these approaches have significant limitations. READ MORE

  7. 15. Structure and Function of Aqua(glycero)porins - A Path to Drug Design

    Author : Gerhard Fischer; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; structural biology; drug screening; Malaria; membrane proteins; yeast;

    Abstract : Membrane proteins are a major class of the drug targets. Rational design of drugs requires knowledge about the structure and function of these proteins. Working with membrane proteins, however, is experimentally challenging as the required technology is still emerging. READ MORE