Phytochemical Analysis, Radical Scavenging Activity, and Molecular Docking Studies of Heliotropium sibiricum (L.) J.I.M.Melo

Durmaz A., AYTAR E. C., AYDIN B., Torunoğlu E. İ., Solmaz F. G., Viana A. R., ...More

Biomedical Chromatography, vol.39, no.7, 2025 (SCI-Expanded, Scopus) identifier identifier

  • Publication Type: Article / Article
  • Volume: 39 Issue: 7
  • Publication Date: 2025
  • Doi Number: 10.1002/bmc.70147
  • Journal Name: Biomedical Chromatography
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Biotechnology Research Abstracts, CAB Abstracts, Chemical Abstracts Core, Chimica, EMBASE, MEDLINE, Veterinary Science Database
  • Keywords: antioxidant activity, GC–MS, Heliotropium sibiricum, molecular docking, phytochemical analysis
  • Uşak University Affiliated: Yes

Abstract

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 μg/mL) and moderate iron chelation capacity (4.23 ± 0.99 mg/mL). The extract exhibited high phenolic (393.79 ± 30.14 μg/mL) and flavonoid (50.76 ± 1.40 μg/mL) contents. Enzymatic antioxidant assays showed notable activities: MDA (0.2141 ± 0.0047 μM), 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.