Anticancer potential, antioxidant activity, chemical content, and enzyme inhibitory properties of Janka, supported by an integrated network pharmacology study.

This study explores the biological and pharmacological potential of Janka () by utilizing both in silico computational and in vitro analyses, focusing on anticancer, antioxidant, and enzyme inhibitory activities. extracts were observed to have effective properties against breast cancer (MCF-7) and human colon adenocarcinoma (HT-29) cell lines compared to normal human umbilical vein endothelial (HUVEC) cell line. Also, effective antioxidant activity of the plant sample was determined by using several in vitro antioxidant methods. Furthermore, inhibitory effects of extracts against alpha-glucosidase (α-Gly) and glutathione S-transferase (GST) enzymes were evaluated. The IC value of ethyl acetate extract was determined as 4.05 µg/mL for α-Gly and 1.67 µg/mL for GST. Similarly, IC₅₀ value of the ethanol extract was measured as 3.74 µg/mL for α-Gly and 2.71 µg/mL for GST. Also, main organic compounds of were detected to be vanillic acid, rutin, and naringin by HPLC technique. Finally, integrated network pharmacology, molecular docking, and molecular dynamics simulations were performed to elucidate the potential interactions between the active components of and genes associated with breast and colon cancer. To ensure reliability, molecular docking results were validated using re-docking and comparison with reference inhibitors or co-crystallized ligands. RMSD and RMSF analyses revealed that naringin, the major compound of , exhibited dynamically stable binding within the active sites of AKT1, EGFR, and PPARG proteins, with AKT1@Naringin and PPARG@Naringin complexes displaying a more stable dynamic profile. In this network pharmacology study, forty-five common targets between the major compounds of with breast and colon cancers were identified.