Micelle Solutions Activity of Origanum onites L. Essential Oil against A. baumannii Intensive Care Unit Strains with Molecular Docking Analysis of p-cymene Targeting A. baumannii AbaR and TnpA


Badri Abed A., KORCAN S. E., GÜNGÖR S.

Journal of Pharmaceutical Innovation, cilt.21, sa.1, 2026 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 21 Sayı: 1
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1007/s12247-025-10266-3
  • Dergi Adı: Journal of Pharmaceutical Innovation
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, EMBASE, INSPEC
  • Anahtar Kelimeler: Acinetobacter baumannii, Molecular docking, Origanum onites, P-cymene
  • Bilecik Şeyh Edebali Üniversitesi Adresli: Evet

Özet

Purpose: In this study, we assessed the effectiveness of micelle solutions of essential oil from Origanum onites L. against clinical strains of Acinetobacter baumannii isolated from intensive care units. The monoterpene p-cymene is also evaluated as a promising mediator targeting A. baumannii AbaR and TnpA by using molecular docking analysis. Methods: Four strains of A. baumannii were molecularly identified; the oil was examined using gas chromatography/mass spectrometry; MIC was determined using the sonicated method; and the inhibitory zones were read using the well agar diffusion method in comparison to colistin. Using AutoDock Vina, a molecular docking analysis was conducted. Results: Micelle-homogenous solutions of the oil showed low minimum inhibitory concentrations against A. baumannii (Ab OR792201, OR792204, OR792202, and OR792203), ranging from 0.20% to 0.39% v/v. Carvacrol was the major component of O. onites essential oil, accounting for 76.67% of the total, followed by p-cymene at 7.77%. According to the AbaR and TnpA proteins' molecular docking, the ligand was detected in the active site and had conformations that would allow it to create connections. The hydrophobic contacts between the proteins and p-cymene showed that there were eight different hydrophobic interactions between the ligand and TnpA and six between the ligand and AbaR. Conclusion: The findings of the study indicated that the chemical components of O. onites essential oil had a strong ability to eliminate the highly lethal A. baumannii, which is encouraging. Molecular docking research also demonstrated the potential for interactions between p-cymene and A. baumannii resistance-related proteins.