Investigation of the Usability of Some Triazole Derivative Compounds as Drug Active Ingredients by ADME and Molecular Docking Properties

Abstract

In this study, some important ADME parameters such as physicochemical properties, lipophilicity, water solubility, pharmacokinetics, medicinal chemistry and drug-likeness properties of ten triazole derivative compounds, which may be drug active ingredients, were performed on the SwissADME a web tool worked on-line. 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.