Determining the optimal antioxidant strategy: a comparative analysis of extractionmethods in Cistus villosus L. extracts revealed by LC-HRMS and computationalmodeling

Authors

HICHAM BOUAKKAZFollow
EBRU EROLFollow
KHEDIDJA BENAROUSFollow
GÜLAÇTI TOPÇUFollow
REGUIA MAHFOUDIFollow
AMAR DJERIDANEFollow
MOHAMED YOUSFIFollow

Abstract

Background/aim: Cistus villosus L., a beloved tea herb, contains a treasure trove of potent antioxidants. Our research unveils thisancient ally’s potential to shield against oxidative stress, a modern health threat.Materials and methods: Antioxidant assays were conducted to evaluate the potency of ethyl acetate extract. IC50 values were determinedfor the extract in various antioxidant assays. Furthermore, molecular docking was employed for the examination of the 22 compoundsanalyzed through LC-HRMS. Additionally, ADMET and PASS investigations were conducted to evaluate their capability as antioxidantsand inhibitors of oxidant formation.Results: Each identified compound boasts a history of antioxidant prowess, building the natural defense arsenal of C. villous. Antioxidantassays showed the potency of the ethyl acetate fraction with an IC50 value of 5.30 mg/L in the DPPH• test, which is better than thatof the studied standard, α-tocopherol (36.35 mg/L). The pharmacokinetic profiles demonstrated good properties for the identifiedcompounds. The PASS study unveiled their potential as antioxidants, and molecular docking showed their effectiveness as inhibitors ofoxidant formation in the human body by blocking the studied targets.Conclusion: This herb, a timeless testament to nature’s bounty, stands poised to become a powerful weapon in our fight against oxidativestress, promising a future of natural well-being.

Author ORCID Identifier

HICHAM BOUAKKAZ: 0000-0003-2254-3578

EBRU EROL: 0000-0001-6342-4298

KHEDIDJA BENAROUS: 0000-0001-9112-6730

GÜLAÇTI TOPÇU: 0000-0002-7946-6545

REGUIA MAHFOUDI: 0000-0001-6737-6414

AMAR DJERIDANE: 0000-0001-6075-7601

MOHAMED YOUSFI: 0000-0003-3947-9867

DOI

10.55730/1300-0152.2720

Keywords

Cistus villous L., antioxidants, maceration, LC-HRMS, natural health, docking

First Page

1

Last Page

27

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.

Recommended Citation

BOUAKKAZ, HICHAM; EROL, EBRU; BENAROUS, KHEDIDJA; TOPÇU, GÜLAÇTI; MAHFOUDI, REGUIA; DJERIDANE, AMAR; and YOUSFI, MOHAMED (2025) "Determining the optimal antioxidant strategy: a comparative analysis of extractionmethods in Cistus villosus L. extracts revealed by LC-HRMS and computationalmodeling," Turkish Journal of Biology: Vol. 49: No. 1, Article 2. https://doi.org/10.55730/1300-0152.2720
Available at: https://journals.tubitak.gov.tr/biology/vol49/iss1/2