Gokkaya, IcimAykac, OkanHepokur, CeylanBal, HalilPolat, Derya CicekRenda, GulinYilmaz, Mustafa Abdullah2026-04-042026-04-0420262365-6549https://doi.org/10.1002/slct.202505188https://hdl.handle.net/11616/109933This study evaluated the possible cytotoxic properties of the aerial parts of Heliotropium hirsutissimum Weber on MCF-7 and MDA-MB-231 breast cancer cell lines and also investigated its antimicrobial effects. Following the identification of the main components of the extract using gas chromatography-mass spectrometry analysis, molecular docking studies were performed using the PDB 6YD9 and PDB 6BRX targets. The crude methanol extract exhibited the most significant cytotoxicity against the MCF-7 and MDA-MB-231 cell lines, with IC50 values of 10.03 +/- 0.02 and 14.36 +/- 0.65 mu g/mL, respectively. Among the tested extracts, the n-hexane sub-extract had modest efficacy against Staphylococcus aureus and Bacillus cereus, with a minimum inhibitory concentration of 0.625 mg/mL. In silico studies demonstrated that 3'-acetyllycopsamine and heliotrine had moderate affinity for the PDB 6YD9 target residue regions, with docking scores of -6.7 and -6.5 kcal/mol, respectively. The docking scores for 3'-acetyllycopsamine and heliotrine against PDB 6BRX were -6.7 and -6.6, respectively. Quinic acid showed strong affinity for the target residues in PDB 6YD9 and PDB 6BRX, with docking scores of -9.3 and -12.1 kcal/mol, respectively. This study suggests that H. hirsutissimum may have a potential effect on breast cancer. This effect may be attributed to the phenolic compounds and pyrrolizidine alkaloids. These findings indicate that H. hirsutissimum is a promising natural resource for future research in both the anticancer and antimicrobial fields.eninfo:eu-repo/semantics/closedAccessantimicrobial activityHeliotropium hirsutissimumMCF-7MDA-MB-231PDB 6YD9Article11110.1002/slct.2025051882-s2.0-105026478947N/AWOS:001653137800001Q30000-0002-4090-72270000-0003-0803-28860000-0002-7363-8801