Sökning: "ligand-based drug discovery"

Hittade 5 avhandlingar innehållade orden ligand-based drug discovery.

  1. 1. Ligand-based Methods for Data Management and Modelling

    Författare :Jonathan Alvarsson; Jarl E. S. Wikberg; Ola Spjuth; Claes Andersson; Martin Eklund; John P. Overington; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; QSAR; ligand-based drug discovery; bioclipse; information system; cheminformatics; bioinformatics; Farmaceutisk farmakologi; Pharmaceutical Pharmacology; Bioinformatik; Bioinformatics;

    Sammanfattning : Drug discovery is a complicated and expensive process in the billion dollar range. One way of making the drug development process more efficient is better information handling, modelling and visualisation. The majority of todays drugs are small molecules, which interact with drug targets to cause an effect. LÄS MER

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

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

    Sammanfattning : 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. LÄS MER

  4. 3. 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

  5. 4. Experimental and computational investigation of affinity and selectivity factors in CYP2D6 and CYP3A4 mediated metabolism

    Författare :Britta Bonn; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Cytochrome P450; in vitro metabolism; biotransformation; computational modeling; drug design;

    Sammanfattning : The assessment of ADME properties and metabolic behavior of a drug is central in drug discovery and drug design. The main target for studies of metabolic properties is the Cytochrome P450 (CYP), which is responsible for the metabolism of a majority of drugs on the market and consequently also involved in many drug-drug interactions. LÄS MER

  7. 5. Scalable Analysis of Large Datasets in Life Sciences

    Författare :Laeeq Ahmed; Erwin Laure; Ola Spjuth; Ake Edlund; Vincent Breton; KTH; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; Big Data; Apache Spark; Virtual Screening; EEG; Cloud Computing; Life Sciences; Machine Learning; Computer Science; Datalogi;

    Sammanfattning : We are experiencing a deluge of data in all fields of scientific and business research, particularly in the life sciences, due to the development of better instrumentation and the rapid advancements that have occurred in information technology in recent times. There are major challenges when it comes to handling such large amounts of data. LÄS MER