Flavonoids are most occurring polyphenolic secondary metabolites in the plant. Flavonoids have been shown to have a broad range of biological and pharmacological activities including antiviral, anti-cancer, and antioxidant activities. In the modern arena, computer modeling in anticancer drug development is being utilized to speed up and make simple for hit identification, optimization of the ADME/T. In this context, this book presents advancement of current research on cancer prevention activity of flavonoids viz. Genistein, Luteolin and Epigallocatechin gallate (EGCG), with a focus on its anticancer mechanisms. The first chapter of the book covers various in vitro, and in vivo experimental outcomes along with molecular docking study summarize docking free energy and several pharmacokinetic and pharmacodynamic parameter of genistein. Second book chapter presents the anticancer activity of luteolin. The third chapter of the book described the role of EGCG in cancer protection. Anticancer activities of EGCG have established by using in silico, in vitro, and in vivo studies are discussed in this book chapter.