Aflatoxin, a naturally occurring mycotoxin, produced by Aspergillus parasiticus infects peanuts and many other legumes. Mycotoxins produced by Aspergillus sp., during pre and postharvest period needs to be controlled to reduce major economic losses. One of the most investigated mycotoxin is aflatoxin-B1 (AFB1), is produced by Aspergillus. Inhibition of Versicolorin B synthase (vbs) enzyme in aflatoxin biosynthesis pathway will control the aflatoxin synthesis. The two natural compounds, allicin and ajoene have strong antifungal effect and the ability to inhibit the formation of mycotoxins. The virtually derived compound named ajocin (allicin + ajoene) has produced synergistic effect in preventing aflatoxin biosynthesis. In silico docking studies thus confirm the enhanced inhibitory property of ajocin will reduce the risk of aflatoxin (carcinogen) exposure to human. This book will be helpful for the researchers to understand the risk of aflatoxins and the need for control of aflatoxin biosynthesis. This research work will also be a resource for further experimental studies and reduce the risk for peanut producers and consumers.