Sökning: "pharmacophore"

Visar resultat 11 - 15 av 16 avhandlingar innehållade ordet pharmacophore.

  1. 11. Computational Analysis of Molecular Recognition Involving the Ribosome and a Voltage Gated K+ Channel

    Författare :Martin Andér; Johan Åqvist; Lennart Nilsson; Uppsala universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; NATURVETENSKAP; NATURAL SCIENCES; computer simulations; molecular dynamics; ligand binding; binding free energy; linear interaction energy; codon recognition; translation termination; release factor; voltage gated potassium ion channel; Kv1.5; Structural biology; Strukturbiologi; Biochemistry; Biokemi; Biokemi; Biochemistry;

    Sammanfattning : Over the last few decades, computer simulation techniques have been established as an essential tool for understanding biochemical processes. This thesis deals mainly with the application of free energy calculations to ribosomal complexes and a cardiac ion channel. LÄS MER

  3. 12. 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. 13. Synthesis of Molecular Probes for Exploring the Human Consciousness, 5-HT7 Ligands and Salvinorins

    Författare :Pär Holmberg; Anders Karlén; Adolf Gogoll; Anette Johansson; Christer Sahlberg; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; serotonin system; opioid system; selective 5-HT7 agonist; 3-aminchromans; salvinorin A; selective kappa opioid receptor; mental disorders; consciousness; regioselective oxidation; enzymatic kinetic resolution; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi;

    Sammanfattning : In this study, we have addressed the serotonergic and the opioid system within the CNS. Both systems are of outmost importance in the etiology of disease states, especially mental disorders. LÄS MER

  5. 14. Using Light to Regulate the Activity of RET Kinase: Design, synthesis and evaluation of photoswitchable DFG-out RET kinase inhibitors

    Författare :Yongjin Xu; Göteborgs universitet; []
    Nyckelord :NATURVETENSKAP; NATURAL SCIENCES; RET kinase; kinase inhibitor; DFG-out; photoparmacology; azoheteroarene; Buchwald-Hartwig coupling; quinoline; 7-azaindole;

    Sammanfattning : Protein kinases are essential for signal transduction and regulate most cellular processes, such as metabolism, membrane transport, motility, and cell cycle. Although they play a critical role in cells and have a strong association with diseases, details of their physiologic and pathologic mechanisms remain at least partially unclear, especially the spatiotemporal dynamics of the signalling. LÄS MER

  7. 15. Approaches to soft drug analogues of dihydrofolate reductase inhibitors : Design and synthesis

    Författare :Malin Graffner Nordberg; Uppsala universitet; []
    Nyckelord :MEDICIN OCH HÄLSOVETENSKAP; MEDICAL AND HEALTH SCIENCES; Pharmaceutical chemistry; soft drug; dihydrofolate reductase; synthesis; Farmaceutisk kemi; Pharmaceutical chemistry; Farmaceutisk kemi; Organic Pharmaceutical Chemistry; Organisk farmaceutisk kemi;

    Sammanfattning : The main objective of the research described in this thesis has been the design and synthesis of inhibitors of the enzyme dihydrofolate reductase (DHFR) intended for local administration and devoid of systemic side-effects. The blocking of the enzymatic activity of DHFR is a key element in the treatment of many diseases, including cancer, bacterial and protozoal infections, and also opportunistic infections associated with AIDS (Pneumocystis carinii pneumonia, PCP). LÄS MER