Search for dissertations about: "Pharmacophore"

Showing result 1 - 5 of 16 swedish dissertations containing the word Pharmacophore.

  2. 1. Pharmacophore Refinement and Lead Optimization - A study of the benzodiazepine site of the GABAA receptors

    Author : Erik Lager; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; Organisk kemi; Organic chemistry; Naturvetenskap; Natural science; Quinolone; Flavone; Pharmacophore; GABA; Benzodiazepine;

    Abstract : Structure activity relationship studies of synthetic flavone derivatives have been utilized to refine and evaluate a pharmacophore model of the benzodiazepine binding site of the GABAA receptors, originally developed by Zhang et al. (Drug Des. Discovery 1995, 12, 193-248). READ MORE

  4. 2. Towards Classification and Functional Description of Enzymes: A case study of feruloyl esterases

    Author : Gupta Udatha; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; descriptors; enzyme immobilization; catalytic triad; pharmacophore; enzyme promiscuity; functional classification; molecular docking; feruloyl esterases; protein evolution; structure-function relationship;

    Abstract : The prediction of enzyme functionality from sequence or structure data remains a challenging task that can be best addressed by studying the structure-function relationships determined from previously available information. This thesis work was focused on developing a reliable classification and functional description for the feruloyl esterase (FAE) enzyme family, whose members’ possess both structural and catalytic promiscuity. READ MORE

  5. 3. SARs for the Antiparasitic Plant metabolite Pulchrol

    Author : Paola Terrazas Villarroel; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; pulchrol; pulchral; SARs; antiparasitic; Leishmania braziliensis; Leishmania amazonensis; Trypanozoma cruzi; Bourreria pulchra; Leishmaniasis; Chagas disease; Synthesis; Pharmacophore; ADMET;

    Abstract : Pulchrol, a natural compound isolated from the roots of the vegetal specie Bourreria pulchra has been shown to possess potential antiparasitic activity toward Trypanosomatids, particularly against Trypanosoma cruzi, which causes the Chagas disease; and moderately against Leishmania species, responsible for Leishmaniasis. In this investigation, several pulchrol analogues were prepared and assayed toward T. READ MORE

  6. 4. Natural Products as Leads for Pharmaceutically Active Compounds

    Author : Pia Kahnberg; Centrum för analys och syntes; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; scaffold hopping; Catalyst; anxiety; benzodiazepine site; GABAA receptor; pharmacophore model; flavones; SAR; antifungal activity; Complex I; pterulone; Organic chemistry; Organisk kemi; Biochemical technology; Biokemisk teknik;

    Abstract : In the search for new pharmaceutically active compounds, it is recognized that Nature produces structurally different compounds in a great variety. By having the compounds or extracts tested in defined systems, new drugs or more often leads (a compound that has an interesting but moderate activity) can be found. READ MORE

  7. 5. Selectivity of dopamine D1 and D2 receptor agonists – A combined computational approach

    Author : Marcus Malo; Göteborgs universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; dopamine; agonists; GPCRs; pharmacophore modeling; protein structure modeling; agonist selectivity;

    Abstract : Dopamine (DA) is an endogenous neurotransmitter acting in the central nervous system. DA plays a key role in many vital brain functions such as behavior, cognition, motor activity, learning, and reward. Dopamine receptors belong to the rhodopsin like family of G-protein coupled receptors (GPCRs). READ MORE