Research Article

In Silico Exploration of Novel Tubulin Inhibitors: A Combination of Docking and Molecular Dynamics Simulations, Pharmacophore Modeling, and Virtual Screening

Table 3

The pharmacokinetic properties prediction by SwissADME software.

LigandGI absorptionCytochrome inhibitorBioavailability
12345

bHighYesYesYesYesNo0.85
cLowYesYesNoYesYes0.55
9ІV-cLowNOYesYesNoNo0.55

1: CYP1A2; 2: CYP2C19; 3: CYP2C9; 4: CYP2D6; 5: CYP3A4.