Sökning: "structure–activity"

Visar resultat 1 - 5 av 13 avhandlingar innehållade ordet structure–activity.

1. 1. Cytotoxic Cyclotides : Structure, Activity, and Mode of Action

   Författare :Erika Svangård; Per Claeson; Lars Bohlin; Ulf Göransson; John H. Cardellina II; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmacognosy; cyclotide; cytotoxic; cancer; cyclic cystine knot; Viola; Violaceae; liposome; hollow fibre; homology modelling; mass spectrometry; amphipathic; structure–activity; tumour; membrane disruption; necrosis; Farmakognosi; Pharmacognosy; Farmakognosi;

   Sammanfattning : Cyclotides are small cyclic plant proteins, and this thesis addresses their cytotoxic structure-activity properties and their mode of action on human cancer cell lines. Cyclotides were isolated from Viola odorata and Viola tricolor; three novel cyclotide sequences and two known sequences, but of new origin, were identified using mass spectrometry, amino acid analysis, and Edman degradation. LÄS MER

3. 2. Computational Modeling of the AT2 Receptor and AT2 Receptor Ligands : Investigating Ligand Binding, Structure–Activity Relationships, and Receptor-Bound Models

   Författare :Christian Sköld; Anders Karlén; Anders Hallberg; Torbjörn Lundstedt; Tommy Liljefors; Uppsala universitet; []
   Nyckelord :Pharmaceutical chemistry; Angiotensin II; AT1; AT2; SAR; bioactive conformation; turn mimetic; peptidomimetic; DISCO; homology model; 3D-QSAR; CoMFA; Farmaceutisk kemi;

   Sammanfattning : Rational conversion of biologically active peptides to nonpeptide compounds with retained activity is an appealing approach in drug development. One important objective of the work presented in this thesis was to use computational modeling to aid in such a conversion of the peptide angiotensin II (Ang II, Asp-Arg-Val-Tyr-Ile-His-Pro-Phe). LÄS MER

4. 3. Salinomycin analogs : Mechanistic probes and structure–activity relationships against cancer stem cells

   Författare :Björn Borgström; Centrum för analys och syntes; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; salinomycin; semi–synthesis; ionophore properties; cancer stem cells; fluorescent probe;

   Sammanfattning : Cancer stem cells are a subpopulation of cells that possess an increased tumorigenic potential. Such cells are connected to drug resistance, metastasis, and cancer recurrence. In 2009, the polyether ionophore salinomycin was shown to exhibit selective activity against cancer stem cells. LÄS MER

5. 4. In-silico design of peptide-based transfection systems, in-vitro validation, and up-take pathways investigation

   Författare :Moataz Dowaidar; Ülo Langel; IngMarie Nilsson; Stockholms universitet; []
   Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; Cell-penetrating peptides; QSAR; PepFect; neurokemi med molekylär neurobiologi; Neurochemistry with Molecular Neurobiology;

   Sammanfattning : Cell-penetrating peptide-based transfection systems (PBTS) are a promising group of drug delivery vectors. Cell-penetrating peptides (CPPs) are short cationic peptides that are able of transporting cell non-permeant cargos into different cell types. LÄS MER

7. 5. Computational Modelling of Structures and Ligands of CYP2C9

   Författare :Lovisa Afzelius; Collen Masimirembwa; Ismael Zamora; Anders Karlén; Marcel de Groot; Uppsala universitet; []
   Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; CYP2C9; 3D QSAR; GRID; CYP450; pharmacophore modelling; homology modelling; metabolism; competitive inhibitors; CPCA; molecular dynamics simulations; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi; Medicinal Chemistry; läkemedelskemi;

   Sammanfattning : CYP2C9 is one of our major drug metabolising enzymes and belongs to the cytochrome P450 (CYP) super family. The aim of this thesis was to gain an understanding of the quantitative structure–activity relationships (QSAR) of CYP2C9 substrates and inhibitors. LÄS MER