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

İslamoğlu F., Hacıfazlıoğlu E.

Moroccan Journal of Chemistry, vol.10, no.4, pp.861-880, 2022 (ESCI)


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.