Worldwide, colorectal cancer takes up the third position in commonly detected cancer and fourth in cancer
mortality. Recent progress in molecular modeling studies has led to significant success in drug discovery using structure
and ligand-based methods. This study highlights aspects of the anticancer drug design. The structure and ligand-based
drug design are discussed to investigate the molecular and quantum mechanics in anti-cancer drugs. Recent advances in
anticancer agent identification driven by structural and molecular insights are presented. As a result, the recent advances in
the field and the current scenario in drug designing of cancer drugs are discussed. This review provides information on
how cancer drugs were formulated and identified using computational power by the drug discovery society.