This book aimed to offer an overview of the significance of polyphenol’s molecular mechanisms of action in combating cancer, along with their in vitro and in silico analyses, in order to explore their potential as anticancer molecules. Polyphenols are bioactive compounds found in various plant-based foods that have demonstrated significant potential in cancer prevention and treatment. Polyphenols offer chemopreventive effects and modulate mechanisms related to cancer progression and complications, such as metastasis. The role of polyphenols in the early stages of cancer prevention is especially important due to their anti-inflammatory and antioxidant properties. Furthermore, the selective action of some polyphenols on cancerous cells makes them promising adjuvants for conventional cancer therapies, which often lack specificity and cause collateral damage.