Anticancer drugs are highly sequence specific to the DNA nucleobases, i.e. they bind specifically by choosing a selective sequence within DNA nucleobase. The Anticancer Drugs may bind within DNA nucleobase basically by intercalation, groove binding and both intercalation or groove binding. In this book some groove binding and intercalating anticancer drugs are taken to study their sequence specific binding within DNA nucleobase. In the second Chapter , is it trying to investigate the binding mode of Acridine drugs within DNA nucleobase, which is as a good intercalating anticancer drug. Chapter 3 explains the binding mode of some groove binding anticancer drugs, DAPI drugs. Here it is also trying to investigate whether the drug prefers minor or major groove within DNA nucleobase. And in the last chapter, a good anticancer drug, Daunomycin is taken, which may bind two different ways within DNA nucleobases as intercalation and groove binding, here some part of the drug prefers intercaltion and the bulky group of the drug prefers to bind via groove binding.