Sökning: "computational toxicology"

Visar resultat 1 - 5 av 10 avhandlingar innehållade orden computational toxicology.

  1. 1. Computational methods for assessing chemical risk : focusing on toxicokinetic modelling in zebrafish (danio rerio)

    Författare :Ioana C. Chelcea; Patrik L. Andersson; Timo Hamers; Jessica Legradi; Stefan Örn; Carolina Vogs; Nynke Kramer; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; PBTK; Toxicokinetics; Endocrine disruptors; bisphenols; zebrafish; embryo; Toxicology; toxikologi;

    Sammanfattning : New chemicals are constantly produced and large data gaps exist on hazards of currently used industrial chemicals, stressing the need for rapid, ethically sound and cost-efficient hazard assessment methods. Traditional methods for effect assessment based on animal testing, do not meet these requirements and thus the toxicology field has been moving towards the development of new approach methodologies which include in vitro approaches but also computational methods. LÄS MER

  2. 2. Modeling of biomembranes: from computational toxicology to simulations of neurodegenerative diseases

    Författare :Inna Ermilova; Alexander Lyubartsev; Marta Pasenkiewicz-Gierula; Stockholms universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; biomembranes; lipid bilayers; Alzheimer s disease; Parkinson disease; computational toxicology; passive diffusion; hydroxylated polybrominated diphenyl ethers; omega-3; omega-6; amyloid beta peptide; molecular dynamics simulations; SLipids force field; fysikalisk kemi; Physical Chemistry;

    Sammanfattning : It was known from the middle of the last century that a cell-membrane is a lipid bilayer. Since that time a large number of experimental studies has been done in order to see how a certain molecule can penetrate through a membrane. LÄS MER

  3. 3. The discovery of antiviral compounds targeting adenovirus and herpes simplex virus : assessment of synthetic compounds and natural products

    Författare :Mårten Strand; Göran Wadell; Mikael Elofsson; Ya-Fang Mei; Lieve Naesens; Umeå universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; virology; antiviral; adenovirus; herpes simplex virus; small molecule; inhibitor; hsv; drug discovery; medicinsk virologi; Medical Virology; datorlingvistik; computational linguistics; mikrobiologi; Microbiology;

    Sammanfattning : There is a need for new antiviral drugs. Especially for the treatment of adenovirus infections, since no approved anti-adenoviral drugs are available. Adenovirus infections in healthy persons are most often associated with respiratory disease, diarrhea and infections of the eye. These infections can be severe, but are most often self-limiting. LÄS MER

  4. 4. Development of in silico methods to aid chemical risk assessment : focusing on kinetic interactions in mixtures

    Författare :Elena Golosovskaia; Patrik L. Andersson; Stefan Örn; Patrik Rydén; Ester Papa; Umeå universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; QSAR; physiologically based kinetic; PBK; zebrafish; ADME; mixture; bisphenols; PFAS; toxicokinetics; environmental science; miljövetenskap; Toxicology; toxikologi;

    Sammanfattning : The environment and biota are constantly exposed to numerous chemicals through contaminated food, soil, water, and air. These chemicals can be taken up and distributed to reach sensitive tissues where they may cause various effects. Many of these chemicals lack data on their environmental and human health effects. LÄS MER

  5. 5. Development of Methods for Assessing Unbound Drug Exposure in the Brain : In vivo, in vitro and in silico

    Författare :Markus Fridén; Margareta Hammarlund-Udenaes; Ulf Bredberg; Yuichi Sugiyama; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Blood-brain barrier; Drug transport; Tissue distribution; Transporters; Pharmacokinetics; Other pharmacy; Övrig farmaci; Biopharmacy; Biofarmaci; Pharmaceutical pharmacology; Farmaceutisk farmakologi; Pharmacokinetics and Drug Therapy; Farmakokinetik och läkemedelsterapi;

    Sammanfattning : The blood-brain barrier is formed by tightly joined capillary cells with transporter proteins and acts as to regulate the brain concentration of nutrients as well as many drugs. When developing central nervous system drugs it is necessary to measure the unbound drug concentration in the brain, i.e. the unbound brain exposure. LÄS MER