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Development of pharmacophore-guided molecular docking protocol for design of SARS-CoV-2 main protease inhibitors
Klenor, Mikuláš ; Lepšík, Martin (advisor) ; Riedlová, Kamila (referee)
Covid-19 is a highly contagious potentially life-threatening disease caused by the SARS-CoV-2 coronavirus. The virus is responsible for a global pandemic and has claimed over 6 million human lives between years 2020 and 2022. To limit the spread of SARS-CoV-2, numerous vaccines have been developed and applied. For already infected individuals, antiviral drugs are applied. An important validated target is the main protease of SARS-CoV-2 (Mpro ). Although thousands of inhibitors have been prepared and one is used in clinical practice (sold under the name of Paxlovid), improved computational protocols to design new active compounds are needed. The computational approach used here is based on pharmacophores. By curating and inspecting 298 structures of Mpro /inhibitors complexes retrieved from the Protein Data Bank (PDB), we have generated six distinct pharmacophores featuring different binding modes. With their aid, we have carried out molecular docking, whose effectiveness was evaluated by measuring root-mean-square deviation (RMSD) of the generated poses with respect to the native conformations. The routine captured 177 out of 213 ligands naturally binding to the active site of the protein with 127 (72% of the captured) generated with RMSD within 2 Å relative to the native conformation....
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Processing and utilizing of customer data
Bartelová, Jana ; Kunstová, Renáta (advisor) ; Sládková, Pavlína (referee)
The topic of this master dissertation is data mining of customer data for marketing purposes within an enterprise. The information resulting from this process is then used to create targeted marketing campaigns. Nowadays, identifying and exploiting customer's needs is vital for any enterprise. With that in mind, the theoretical part of this dissertation is focused primarily on different methods of data analysis such as segmentation, profiling, customer scoring and determining customer value. A significant segment of this part focuses on web analysis, which studies customer's web browsing behaviour. The practical part of this dissertation is based on a case study of a specific e-shop. The case study identifies and solves problems of emailing realization. Solving these problems using Silverpop Engage brings new opportunities for emailing. The main goal of this dissertation is to show new opportunities of utilizing behavioural data for e-mailing campaigns execution.
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Customer Intelligence in e-shop
Pavel, Jan ; Novotný, Ota (advisor) ; Maryška, Miloš (referee)
Studies are focused on methods for better recognition of internet shop customers. General this method is called Customer Intelligence. It contains means of increase of customers valuation for a society. It is based on exploitation of accumulated data about customer which helps to get necessary information. A main target of Studies is to create system of Customer Intelligence addapted to society needs. For internet seller it is necessary to include a web analytics into the system too. In a theoretical part there is an explanation of attitude and significance of Customer Intelligence in terms of informational company system. Furthermore there is taken a customer value. It is proceeded from basic means of customer valuation assesment via customers lifelong value for society to means of customer scoring A practical part of Studies is devoted to performed analyses of customer data which are the main details for execution of Customer Intelligence. There is explained how this obtained information will be used. In a conclusion there is descirbed a technical realization and problems which had to be necessarily solved during the implementation.
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