Akademik Veri Yönetim Sistemi
ChemistrySelect, cilt.11, sa.1, 2026 (SCI-Expanded, Scopus)
This 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 µg/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.