Synthesis, Cytotoxic Evaluation, and In Silico Studies of 4‐Substituted Coumarins

Two series of coumarins possessing the aniline‐ and heterocyclic ring at 4 th position have been synthesized and evaluated for their in vitro cytotoxic activity against MCF‐7 cancer cell line in MTT assay. Structure activity relationship (SAR) studies reveal that the electron donor group at position‐8 of coumarin played an important role in cytotoxic activity. Compound VIId showed the potent cytotoxic activity followed by compound Xa with IC 50 = 6.25 and 6.50 μM, respectively. A docking study has also been carried out for the most potent compound to get an insight into molecular interactions with p50 subunit of NF‐κB protein.