Search for dissertations about: "rational compound design"

Found 5 swedish dissertations containing the words rational compound design.

  2. 1. Redefining the essential molecular aspects that drive interactions between small molecules and G-quadruplex DNA

    Author : Måns Andréasson; Erik Chorell; Anna Linusson Jonsson; Jan Kihlberg; Umeå universitet; []
    Keywords : NATURVETENSKAP; NATURAL SCIENCES; G-Quadruplexes; DNA; Oncogenes; G4 ligands; heterocycles; macrocycles; organic synthesis; molecular interactions; rational compound design; medicinal chemistry.; medicinal chemistry; läkemedelskemi; organisk kemi; Organic Chemistry;

    Abstract : G-Quadruplex (G4) structures are secondary nucleic acid structures located in guanine-rich regions of DNA and RNA sequences, involved in gene regulation and cellular maintenance. Efforts to target G4s in a therapeutic setting are scarce, mainly due to vague details about the binding interactions between the ligands and the G4 structure combined with the lack of emphasis on drug-like properties early in the ligand development process. READ MORE

  4. 2. Hydrolases as Catalysts for Green Chemistry and Industrial Applications - Esterase, Lipase and Phytase

    Author : Yasser Gaber; Bioteknik; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; HPLC-EAT; sustainable environment; mutation; metallo-enzyme; phytate; b-propeller; biodegraqdable; metrics; green chemistry; Novozym 435; CalB; solvent-free; kinetic resolution; Biocatalysis; rational design; PLE; esterase; clopidogrel; enantioselectivity;

    Abstract : The use of enzymes in industrial applications has been recognised for providing clean processes with minimal impact on the environment. This thesis presents studies on engineering of enzymes and enzyme-based processes in the light of green chemistry and environmental sustainability, and focuses on three hydrolases: esterase, lipase and phytase. READ MORE

  5. 3. A Rational Exergy Management Model to Curb CO2 Emissions in the Exergy-Aware Built Environments of the Future

    Author : Siir Kilkis; Folke Björk; Bahram Moshfegh; KTH; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY; Exergy; CO2 emissions; built environment; buildings; energy system; scenario-based analysis; mitigation strategies; net-zero; LEED; energy transition; transition management; SRA - Energy; SRA - Energi;

    Abstract : This thesis puts forth the means of a strategic approach to address a persistent problem in the energy system and in this way, to transition the built environment to a future state that is more exergy-aware to curb CO2 emissions. Such a vision is made possible by the six-fold contributions of the research work: I) An analytical model is developed, which for the first time, formulates the CO2 emissions that are compounded in the energy system as a function of the systematic failures to match the supply and demand of exergy. READ MORE

  6. 4. Train---Track Interaction. Coupling of Moving and Stationary Dynamic Systems: Theoretical and Experimental Analysis of Railway Structures Considering Wheel and Track Imperfections

    Author : Jens Nielsen; Chalmers tekniska högskola; []
    Keywords : TEKNIK OCH TEKNOLOGIER; ENGINEERING AND TECHNOLOGY;

    Abstract : A general and well-structured method is advanced for analysis of the vertical dynamic interaction between a train and its track. The trains studied are modelled as linear or non-linear discrete mass-spring-damper systems. READ MORE

  7. 5. Autophagy and VPS34 as targets in anti-cancer therapy

    Author : Yasmin Désirée Yu; Karolinska Institutet; Karolinska Institutet; []
    Keywords : ;

    Abstract : Autophagy (Greek for self-eating) is a cellular pathway that breaks down cytoplasmic components to fuel metabolism. In this way, autophagy maintains cellular homeostasis and sustains survival during stress conditions. In cancer, autophagy is often dysregulated and has been described to contribute to malignancy and therapy resistance. READ MORE