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National Repository of Grey Literature

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	Probing natural molecules with PPAR-γ to reveal potent agonist against Cancer Špaková, Adriána ; Pankaj, Vaishali ; Bhogal, Inderjeet ; Roy, Sudeep The work focuses on searching for a molecule with potential agonistic properties against cancer. Molecules from six databases were screened and docked to peroxisome proliferatoractivated receptor gamma (PPAR-𝛾) by using computer aided drug design approach. Hits underwent further exploration, including dynamic simulation and safety verification. Piperlongumine - naturally occurring small molecule, derived from long pepper (Piper longum) showed after comparison with standards Troglitazone and Rosiglitazone promising results. Detailed record
	Probing natural molecules with PPAR- to reveal potent agonist against Cancer Špaková, Adriána ; Bhogal, Inderjeet (referee) ; Roy, Sudeep (advisor) Práca sa zaoberá hľadaním prírodnej molekuly s potenciálnymi agonistickými vlastnosťami proti rakovine. Cieľom práce bolo predovšetkým pochopiť súvislosť medzi receptorom PPAR- a rakovinou. Následne boli molekuly zo šiestich databáz virtuálne skrínované a dokované k nukleárnemu receptoru PPAR- za využitia počítačom podporovaného dizajnu liečiv. Najlepšie molekuly podstúpili ďalšie preskúmanie, vrátane dynamickej simulácie a štúdie viazania voľnej energie. Overenie bezpečnosti najlepších molekúl bolo vykonané predikčnými modelmi ADMET. Dôležitou súčasťou práce bolo porovnanie novoobjavených molekúl disponujúcich agonistickými vlastnosťami proti rakovine s už známymi na trhu. Konkrétne Troglitazón a Rosiglitazón slúžili ako štandardy, ktoré sa vyznačujú vysokou afinitou k receptoru PPAR- a prejavili antineoplastické účinky v rôznych ľudských malígnych nádoroch, vrátane rakoviny prsníka, hrubého čreva a pankreasu. Na druhej strane, tieto dve syntetické molekuly čelia varovaniu zo strany FDA (Úrad pre potraviny a liečivá) v dôsledku ich nepriaznivých vedľajších účinkov. V rámci práce sa podarilo objaviť prírodné molekuly, ktoré vykázali lepšie vlastnosti ako aktuálne štandardy. Tieto sľubné výsledky si zaslúžia ďalšiu pozornosť. Jedna z molekúl by mohla potenciálne viesť k vývoju nového lieku. Detailed record
	Comparative study of the drug effect on selected disease based on the human genetic polymorphisms Beňková, Daniela ; Sekorová, Šárka (referee) ; Cicková, Pavlína (advisor) This bachelor thesis is dealing with topic of effects of medicine from the viewpoint of the genetic polymorphism occurrence in human being. The main targets of my bachelor thesis include describing the pharmacogenomics as a scientific branch, single nucleotide polymorphisms and methods of their searching, providing information about Alzheimer’s disease, looking up the medicine for the treatment of this disease, comparing their effects, describing pathways and realizing ADMET profiling of these drugs and evaluating data. Detailed record
	Comparative study of the drug effect on selected disease based on the human genetic polymorphisms Beňková, Daniela ; Sekorová, Šárka (referee) ; Cicková, Pavlína (advisor) This bachelor thesis is dealing with topic of effects of medicine from the viewpoint of the genetic polymorphism occurrence in human being. The main targets of my bachelor thesis include describing the pharmacogenomics as a scientific branch, single nucleotide polymorphisms and methods of their searching, providing information about Alzheimer’s disease, looking up the medicine for the treatment of this disease, comparing their effects, describing pathways and realizing ADMET profiling of these drugs and evaluating data. Detailed record

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