The plants belonging to the Rutaceae family have many beneficial and harmful properties. Ruta graveolens is an herb, which has more medicinal qualities. Different varieties of essential oil and compounds have been already extracted from this plant. Many research works have been done using Rue. The compound selected for the study from Rue is Caffeic acid. It has activities like anti-inflammatory, anti-tumor, and antioxidant. This acid is present in many foods and vegetables which we consume regularly. Caffeic acid resembles aspirin in its molecular formula but with a different structural arrangement; hence caffeic acid was compared with aspirin for its activity. Aspirin is mainly used for migraine headaches. Migraine is a neurological disorder where headache occurs on one side of the head. Migraines trigger seizures which may cause epilepsy. So, in silico method (i.e.) molecular docking was done to study whether caffeic acid can replace aspirin and act as a lead to treat migraine. The ligand and protein were selected and docked using the software AutoDock Vina