This study aimed to predict the molecular docking study of inhibition of the most targeted genes of migraine headache by finding the effective or natural ligands derived from lavender (Lavandula angustifolia L.). Subsequently we did screening of several compounds having anti- inflammatory, antiseptic and anti-action using different in-silico approaches (Lipinski rule of five, made analysis and molecular docking tools). We found potent ligands against migraine headache and recommend that natural compounds of lavender are intense inhibitors against the migraine headache.