as anticancer agent could have potential to revolutionized the cancer treatment regime. In our study, phytochemicals Delphinidin 3,5-diglucoside, Baicalein, Morphine, Vitexin and IsoSkimmiwallin showed high interaction affinity and binding energy with target proteins EGFR, ER, PR and NUDT5, therefore these molecules can be explored for their anti-breast cancer treatment efficacy. However, the in vitro and in vivo validation of their effectiveness is needed.