Investigation of the usability of some triazole derivative compounds as drug active ingredients by adme and molecular docking properties

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Lect. ESRA HACIFAZLIOĞLU

Thesis Type: Postgraduate

Institution Of The Thesis: Recep Tayyip Erdogan University, Lisansüstü Eğitim Enstitüsü, Kimya (Yl), Turkey

Thesis Supervisor: Fatih İslamoğlu

Approval Date: 2022

Thesis Language: Turkish

Abstract:

In this study, some important ADME parameters such as physicochemical properties, lipophilicity, water solubility, pharmacokinetics, medicinal chemistry and druglikeness properties of ten triazole derivative compounds, which may be drug active ingredients, were investigated on the SwissADME a web tool worked online. Bioavailability radar plotted for each molecule for rapid assessment of drug-likeness. The BOILED-Egg graph was plotted for each molecule to assess passive gastrointestinal absorption (HIA) and brain penetration (BBB) relative to the position of the molecules. SwissTargetPrediction a web tool worked on-line was used to predict the most likely protein targets of molecules. Docking programs have a wide range of applications ranging from computer aided to drug design. Molecules were docked with the determined target protein using the SwissDock a web tool worked on-line.