Prediction of pharmacokinetics and toxicity of statins using software package PreADMET and pkCSM

master's thesis

• Title: Predviđanje farmakokinetike i toksičnosti statina primjenom programskih paketa PreADMET i pkCSM
• Author: Katarina Božić
• Mentor: Ana Mornar Turk (mentor)
• Committee member: Ana Mornar Turk (predsjednik povjerenstva)
• Committee member: Biljana Nigović (član povjerenstva)
• Committee member: Maja Šegvić Klarić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Pharmacy and Biochemistry; (Department of pharmaceutical analysis); Zagreb
• Defense date and country: 2016-09-29, Croatia
• Scientific / art field, discipline and subdiscipline: BIOMEDICINE AND HEALTHCARE; Pharmacy; Pharmacy

Abstract

U istraživanju potencijalnih lijekova dugo vremena srž istraživanja predstavljala je potragu za novom molekulom s ciljanom farmakološkom aktivnosti. Danas je poznato kako najprikladniji lijek nije nužno onaj s najznačajnijom aktivnosti, već upravo lijek kod kojeg je odnos između učinkovitosti, sigurnosti, farmakokinetike, interakcije s drugim lijekovima te troškova proizvodnje najprikladniji. Stoga se farmakokinetika lijeka ispituje već u najranijim fazama njegova istraživanja. In silico ispitivanje farmakokinetike lijekova od iznimnog je značaja u najranijim fazama istraživanja budući da omogućava predviđanje farmakokinetike potencijalnog, još nesintetiziranog lijeka. Čitav niz on-line kao i komercijalno dostupnih programa omogućava uvid u farmakokinetičko ponašanje potencijalnog lijeka već unutar nekolikom minuta. No, kako bi se dobili pozdani podaci potrebno je redovito evaluirati njihovu primjenu. Cilj ovog rada bio je ispitati farmakokinetička svojstva lijekova iz skupine statina primjenom dva nova programska paketa: PreADMET i pkCSM. Provedenim istraživanjem uočeno je kako se neki od ispitanih parametra značajno razlikuju ovisno o korištenom računalnom programskom paketu. Stoga je moguće zaključiti kako daljnja istraživanja trebaju biti usmjerena na evaluacija ovih programskih paketa u smislu usporedbe eksperimentalno dobivenih podataka s teorijskim vrijednostima.

Abstract (english)

For a long time the core of the research of potential drugs was the search for a new molecule with a target pharmacological activity. Today it is known that the most appropriate drug is not necessarily the one with the most significant activities, then the drug in which the relationship between the efficiency, safety, pharmacokinetics, interactions with other drugs and the cost of producing the most suitable. Therefore, the pharmacokinetics of the drug tests in the earliest stages of research. In silico study of drugs pharmacokintics is of utmost importance in the earliest stages of research as it allows the prediction of pharmacokinetics of potential, still unsynthetized drug. A whole range of on-line as well as commercially available software provides insight into the pharmacokinetic behaviour of potential drug within a few minutes. But in order to get a reliable data it is necessary to regularly evaluate their application. The aim of this study was to investigate the pharmacokinetic properties of drugs from the group of statins using two new software packages: PreADMET and pkCSM. Conducted research it was observed that some of the examined parameters vary significantly depending on the software package. It is possible to conclude that further research should be focused on the evaluation of these software packages in terms of comparing the experimental data with the theoretical values.

• Keywords: statini; farmakokinetika; toksičnost; in silico; PreADMET; pkCSM
• Keywords (english): statins; pharmacokinetics; toxicity; in silico; PreADMET; pkCSM
• Language: croatian
• URN:NBN: urn:nbn:hr:163:901240
• Study programme: Title: Farmacija; Study programme type: sveučilišni; Study level: integrirani preddiplomski i diplomski; Academic / professional title: magistar/magistra farmacije (magistar/magistra farmacije)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Restricted access
• Created on: 2016-12-01 16:42:38