Now showing items 1-5 of 5

  • Concurrent impact of various prospective drug ligand molecules on different illness 

    Authors:Buturak, Birce
    Publisher and Date:(Kadir Has University, 2013)
    in this thesis work we have performed binding energy computation studies of various prospective drug molecules with various proteins. Our aim in performing such studies was to observe the possible concurrent effects of such several drug-like ligand molecules on different metabolic and illness mechanisms by means of computational tools. Docking was the main computational tool we have used. -- Abstract'tan.

  • Designing inhibitors via molecular modelling methods for monoamine oxidase isozymes a and b 

    Authors:Varnalı, Filiz
    Publisher and Date:(Kadir Has University, 2012)
    in drug development studies a large number of new drug candidates (leads)have to be synthesized and optimized by changing several moieties of the leads in order to increase efficacies and decrease toxicities. Each synthesis of these new drug candidates include multi-steps procedures. -- Abstract'dan.

  • In Silico Inhibitor Design For Monomine Oxidase A And B Isozymes 

    Authors:Mıdık, Çağla
    Publisher and Date:(Kadir Has University, 2012)
    in this thesis study MAO-A and MAO-B isozymes are selected as target enzymes that have important role of regulation of diseases such as ..Parkinson Alzheimer and depression... MAO isozymes which catalyze the oxidation of monoamines in the body stand out in these diseases. Today explicitly known that MAO enzymes oxidize the neurological amines such as serotonine dopamine neuroadrenaline more than usual way and result in the reduction of the level of these important monoamines creating disease state. ...

  • Molacilar Dynamics Studies oh human dat and its natural ligand dopamine 

    Authors:Demirci, Seda
    Publisher and Date:(Kadir Has University, 2012)
    The dopamine transporter (DAT) which is a member of Neurotransmitter sodium symporters (NSSs) family takes place in dopaminergic neurotransmission. Therefore it is a major molecular target for numerous drugs including the widely abused psychostimulants cocaine and amphetamine as well as antidepressants. in this study to understand the dynamics behavior of structure-function relationship of the human dopamine transporter (DAT) we performed MD studies. The dopamine DAT interactions were investigated ...

  • Structure Prediction of TB RPOB and its Mutations Binding Analysis 

    Authors:Dinçer, Erçin
    Publisher and Date:(Kadir Has University, 2012)
    --Today Tuberculosis is a disease that is still a high-risk categories. Rifampicin is a drug that.s used common in the treatment of TB. We know that the effect of this drug in the region of RNA polymerase on TB. Unfortunately there isn.t any three-dimensional crystal structure in the rpo.. in this study three-dimensional model was created from DNA sequence and applied the resistance mutations of TB for computing resistance . -- Abstract'tan.