Phytochemical Analysis, Radical Scavenging Activity, and Molecular Docking Studies of <i>Heliotropium sibiricum</i> (L.) JIMMelo

Durmaz A., AYTAR E. C., AYDIN B., Torunoglu E. I., Sezgin F. G., Viana A. R., ...Daha Fazla

BIOMEDICAL CHROMATOGRAPHY, cilt.39, sa.7, 2025 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 39 Sayı: 7
  • Basım Tarihi: 2025
  • Doi Numarası: 10.1002/bmc.70147
  • Dergi Adı: BIOMEDICAL CHROMATOGRAPHY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, Chimica, Compendex, EMBASE, MEDLINE
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

This study explores the phytochemical profile and molecular docking properties of Heliotropium sibiricum (L.) J.I.M.Melo, as detailed in Kew Bull. 77: 970 (2022). Antioxidant assays revealed strong radical scavenging activity (DPPH: 0.14 +/- 0.02 mu g/mL) and moderate iron chelation capacity (4.23 +/- 0.99 mg/mL). The extract exhibited high phenolic (393.79 +/- 30.14 mu g/mL) and flavonoid (50.76 +/- 1.40 mu g/mL) contents. Enzymatic antioxidant assays showed notable activities: MDA (0.2141 +/- 0.0047 mu M), CAT (426 +/- 14.73 U/mg), PO (8.366 +/- 0.15 U/mg), SOD (53.13 +/- 1.41 U/mg), and Mn-SOD (7.63 +/- 0.31 U/mg). GC-MS analysis identified major compounds including pyrrolidine (15.08%), neophytadiene (9.40%), 9,12,15-octadecatrienoic acid (9.75%), and 2-pentadecanone, 6,10,14-trimethyl- (7.19%). Molecular docking revealed binding energies ranging from -3.4 to -5.2 kcal/mol, with 1,2-cyclohexanedimethanol showing the strongest interaction. These results demonstrate the plant's significant antioxidant potential and suggest that its bioactive constituents may serve as promising candidates for pharmacological development.