Design and Synthesis of Novel Indazole—Sulfonamide Derivatives, Cytotoxicity, and Molecular Docking Insights

ABSTRACT A novel library of new indazole—sulfonamides were synthesized by as single step protocol and evaluated their invitro anticancer activity against three breast cancer cell lines viz. MCF‐7, MDA‐MB‐231, and SKBR‐3 cell employing Lapatinib as standard reference. Compounds 3f established promising activity against all the three cell lines with an IC 50 value of 10.77 ± 0.31 µM (MCF‐7), 10.82 ± 0.47 µM (MDA‐MB‐231), and 11.10 ± 0.49 µM (SKBR‐3). Compound 3d had shown effective activity with an IC 50 value of 11.40 ± 0.53 (MCF‐7), 11.25 ± 0.51 (MDA‐MB‐231), and 12.32 ± 0.33 µM (SKBR‐3). Compound 3 h demonstrated potent activity with an IC 50 value of 13.42 ± 0.25 (MCF‐7), 12.97 ± 0.23 (MDA‐MB‐231), and 13.05 ± 0.37 µM (SKBR‐3). Additionally, performed molecular docking study against crystal structure of PARP15 to get insights into molecular binding interactions, it accomplished promising docking scores and binding interactions such as H‐bond and hydrophobic in support of experimental investigations.