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Indian Journal of Pharmaceutical Education and ResearchNOW IN
Article

Harnessing Saussurea lappa for Anti-leishmanial, Anti-toxoplasmic, and Anti-bacterial Activity: Molecular and Computational Insights

Manal Mohamed Elhassan Taha1, Siddig Ibrahim Abdelwahab1★, Muruganantham Bharathi2, Waleed S. Koko3, Ibrahim S. Al Nasr3, Tariq A. Khan4, Mohamed Eltaib Elmobark5, Zia ur Rehman1, Sivakumar S. Moni5, Syam Mohan6,7, Bassem Oraibi1, Hassan Ahmad Alfaifi8, Dina Abdulrahman Ismail Albadawi9, Ahmed Ali Jerah10, Yasir Babiker11, Saleh M Abdullah10, Ibrahim Abdel Aziz Ibrahim12, Abdullah Farasani1,10★ Corresponding author

  1. 1Health Research Centre, Jazan University, Jazan, SAUDI ARABIA.
  2. 2Department of Biochemistry, Karpagam Academy of Higher Education, Coimbatore, Tamil Nadu, INDIA.
  3. 3Department of Biology, College of Science, Qassim University, Qassim, SAUDI ARABIA.
  4. 4Department of Basic Health Sciences, College of Applied Medical Sciences, Qassim University, Qassim, SAUDI ARABIA.
  5. 5Department of Pharmaceutical Chemistry, College of Pharmacy, Jazan University, Jazan, SAUDI ARABIA.
  6. 6Center for Global Health Research, Saveetha Medical College and Hospitals, Saveetha Institute of Medical and Technical Sciences.
  7. 7School of Health Sciences, University of Petroleum and Energy Studies, Dehradun, Uttarakhand, INDIA.
  8. 8Pharmaceutical Care Administration, Jeddah Second Health Cluster, Ministry of Health, Jeddah, SAUDI ARABIA.
  9. 9Department of Natural Products and Alternative Medicine, Faculty of Pharmacy, King Abdulaziz University, Jeddah, SAUDI ARABIA.
  10. 10Department of Medical Laboratory Technology, Faculty of Nursing and Health Sciences, Jazan University, Jazan, SAUDI ARABIA.
  11. 11Department of Surgery, Faculty of Medicine, Jazan University, Jazan, SAUDI ARABIA.
  12. 12Department of Pharmacology and Toxicology, Umm Al-Qura University, Makkah, SAUDI ARABIA.

CORRESPONDENCE

Siddig Ibrahim Abdelwahab

Health Research Centre, Jazan University, Jazan, SAUDI ARABIA.

siddigroa@yahoo.com

Received: 24-01-2025; Revised: 08-03-2025; Accepted: 16-05-2025.

Volume 59, Issue 4 · pp. 1429–1443 · PUBLISHED 2025 · DOI: 10.5530/ijper.20251782

View on IJPER original site ↗

ABSTRACT

Objectives: Saussurea lappa Clark has shown preliminary promise in various biological contexts. This study investigates the antileishmanial, antitoxoplasmic, and antibacterial activities of methanolic extracts from S. lappa roots, focusing on key active components, Dehydrocostuslactone (DHL) and Dihydrodehydrocostus Lactone (DDHL). Materials and Methods: Bioassays were conducted to assess the extract's efficacy against Leishmania major, Toxoplasma gondii, Staphylococcus aureus, and Klebsiella pneumoniae, with cytotoxicity tested on Vero cells using the MTT assay. Molecular docking analyses explored the binding interactions of DHL and DDHL with critical targets, such as pteridine reductase and squalene synthase in L. major; (acyl-carrier-protein) S-malonyltransferase and DNA gyrase in S. pyogenes; and carbapenemase and DNA gyrase in K. pneumoniae. Results: The extract exhibited moderate antileishmanial activity against Leishmania major promastigotes (IC50: 14.7 µg/mL, SI: 1.2) and amastigotes (IC50: 17.2 µg/mL, SI: 1.18), with lower potency compared to Amphotericin B. However, its high toxicity to host macrophages (CC50: 20.3 µg/mL) limits further potential. It showed poor antitoxoplasmal activity (IC50: 14.7 µg/mL, SI: 0.394) and was toxic to Vero cells (CC50: 5.8 µg/mL). Antibacterial assays revealed concentration-dependent inhibition zones against Streptococcus pyogenes (24±1.7 mm at 250 µg/mL) and Klebsiella pneumoniae (37±1.7 mm at 250 µg/mL). Molecular docking showed strong interactions of DHL with Pteridine reductase (-7.1 kcal/mol) and DDHL with Carbapenemase (-7.9 kcal/mol). Both compounds exhibited favorable ADMET profiles, including high oral absorption, suggesting potential as therapeutic agents for further investigation and active compound isolation. Conclusion: These findings highlight the potential of S. lappa as a therapeutic agent and underscore the need for additional preclinical research to further validate and develop its antimicrobial applications.

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    Taha, M. M. E., Abdelwahab, S. I., Bharathi, M., Koko, W. S., Nasr, I. S. A., Khan, T. A., Elmobark, M. E., Rehman, Z. U., Moni, S. S., Mohan, S., Oraibi, B., Alfaifi, H. A., Albadawi, D. A. I., Jerah, A. A., Babiker, Y., Abdullah, S. M., Ibrahim, I. A. A., & Farasani, A. (2025). Harnessing Saussurea lappa for Anti-leishmanial, Anti-toxoplasmic, and Anti-bacterial Activity: Molecular and Computational Insights. Indian Journal of Pharmaceutical Education and Research, 59(4), 1429–1443. https://doi.org/10.5530/ijper.20251782