Bioactivity of Anethum graveolens – An in silico Approach

Abstract

Anethum graveolens is a popular herb that produces essential oil and is widely used as a flavoring agent. It contains polyphenols, which have antioxidant and carminative properties. Phytochemical screening is carried out in this work to determine the presence of terpenoids, flavonoids, and tannins, etc. Lipid peroxidation is common in food products, and to prevent it, synthetic antioxidants such as butylated hydroxyanisole (BHA) and butylated hydroxytoluene (BHT) are used, both of which are carcinogenic in nature. As a result, there is a growing demand for plant-derived antioxidants. Anethum graveolens is a plant rich in antioxidants and the objective of the present study is to predict the antioxidant and bioactivity of Limonene, Carvone, \(\alpha\)- Phellandrene, Dillapiol, Geraniol and p-Cymene. PASS prediction tool was used for in silico studies, and bioactive compounds with Pa> 0.7 were predicted. The bioactivity score for these compounds is calculated, and their potential medicinal value is discussed using Lipinski's rule of 5 analysis. According to the findings of the study, all of the compounds have bioactivity and are potential antioxidants that could be used in the health care, cosmetic, and food and beverage industries.