ADMET predictions

The SwissADME platform (www.swissadme.ch) was utilized to compute the pharmacokinetic and ADMET properties of the potential drugs (48) . The prediction of drug-likeness compounds followed Lipinski's five standard rules: molecular weight (MW), numbers of hydrogen bond donors (HBD) and acceptors (HBA), numbers of rotatable bonds (RB), polar surface area (PSA), and lipophilicity (LogP). Furthermore, gastrointestinal absorption and brain penetration were predicted using the brain or intestinal estimated permeation technique (BOILED-Egg), which was incorporated into the SwissADME platform.