Sökning: "proteochemometrics"

Hittade 4 avhandlingar innehållade ordet proteochemometrics.

  1. 1. Modeling the Interaction Space of Biological Macromolecules: A Proteochemometric Approach : Applications for Drug Discovery and Development

    Författare :Aleksejs Kontijevskis; Jarl Wikberg; Jan Komorowski; Robert Glen; Uppsala universitet; []
    Nyckelord :Bioinformatics; proteochemometrics; bioinformatics; chemoinformatics; chemical space; QSAR; retroviral proteases; HIV-1; drug resistance; pharmacogenomics; cytochrome P450; GPCRs; melanocortin receptors; interactome; machine-learning; rough sets; Bioinformatik;

    Sammanfattning : Molecular interactions lie at the heart of myriad biological processes. Knowledge of molecular recognition processes and the ability to model and predict interactions of any biological molecule to any chemical compound are the key for better understanding of cell functions and discovery of more efficacious medicines. LÄS MER

  3. 2. Studies of Retroviral Reverse Transcriptase and Flaviviral Protease Enzymes as Antiviral Drug Targets : Applications in Antiviral Drug Discovery & Therapy

    Författare :Muhammad Junaid; Jarl ES Wikberg; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Virus; enzymes; HIV AIDS; retroviral reverse transcriptase; flaviviral protease; NRTIs; proteochemometrics; drug resistance; DEN; JEV; NS2B H -NS3pro; antiviral; drug targets; drug discovery; drug therapy.; Farmakologi; Pharmacology;

    Sammanfattning : Viruses are a major threat to humans due to their unique adaptability, evolvability and  capability to control their hosts as parasites and genetic elements. HIV/AIDS is the third largest cause of death by infectious diseases in the world, and drug resistance due to the viral mutations is still the leading cause of treatment failure. LÄS MER

  4. 3. Development of Proteochemometrics—A New Approach for Analysis of Protein-Ligand Interactions

    Författare :Maris Lapins; Jarl Wikberg; Johan Gottfries; Uppsala universitet; []
    Nyckelord :Pharmaceutical pharmacology; chemometrics; QSAR; G-protein coupled receptors; Melanocortin receptors; protein-ligand interactions; Farmaceutisk farmakologi;

    Sammanfattning : A new approach to analysis of protein-ligand interactions, termed proteochemometrics, has been developed. Contrary to traditional quantitative structure-activity relationship (QSAR) methods that aim to correlate a description of ligands to their interactions with one particular target protein, proteochemometrics considers many targets simultaneously. LÄS MER

  5. 4. Chemogenomics: Models of Protein-Ligand Interaction Space

    Författare :Helena Strömbergsson; Gerard J Kleywegt; Jarl E S Wikberg; Torgeir R Hvidsten; John Overington; Uppsala universitet; []
    Nyckelord :;

    Sammanfattning : The large majority of the currently used drugs are small molecules that interact with proteins. Understanding protein-ligand recognition is thus central to drug discovery and design. Improved experimental techniques have resulted in an immense growth of drug target information. LÄS MER