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

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 IC50 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 IC50 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 IC50 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.