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Peer-reviewedCC BY-NC-ND 4.0Turkish Journal of Pharmaceutical Sciences

Furanocoumarins from the Roots of Cachrys cristata DC.: Isolation, Anticholinesterase Activity, and Molecular Docking Studies

  • Fadıl Kaan KURAN1
  • Ceren KUŞ1
  • Zehra Ezel DOLAP2
  • Şule Nur KARAVUŞ KANTEMÜR3
  • Kübra Şeyma ÖZTÜRK1
  • Gülsüm ALTIPARMAK ÜLBEGİ4
  • Mahmut MİSKİ1
4 affiliations
  1. 1İstanbul University Faculty of Pharmacy, Department of Pharmacognosy, İstanbul, Türkiye
  2. 2İstanbul University, Health Sciences Institute, Department of Pharmacognosy, İstanbul, Türkiye
  3. 3Istanbul Medipol University Faculty of Pharmacy, Department of Pharmacognosy, İstanbul, Türkiye
  4. 4İstanbul University Faculty of Pharmacy, Department of Biochemistry, İstanbul, Türkiye
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Abstract

Objectives: The present study aimed to investigate the phytochemical constituents of Cachryscristata roots, to evaluate the cholinesterase-inhibitory activity of the isolated compounds, and to assess their possible binding interactions with acetylcholinesterase and butyrylcholinesterase through molecular docking studies.

Materials and Methods: The roots were extracted with dichloromethane by Soxhlet extraction, and a coumarin-rich fraction was obtained by precipitation from the crude extract. Chromatographic purification of this fraction using Sephadex LH-20, reversed-phase C18 column chromatography, and preparative thin-layer chromatography afforded ten known furanocoumarins: oxypeucedanin hydrate, oxypeucedanin, bergapten, xanthotoxin, 3’-hydroxyprantschimgin, oxypeucedanin ethanolate (oxypeucedanin hydrate-3”-ethyl ether), pabularinone, marmesin, pabulenol and saxalin. The structures of the isolated compounds were identified by (1)H NMR spectroscopy and comparison with literature data. Selected isolated compounds were evaluated for inhibitory activity against acetylcholinesterase and butyrylcholinesterase, and the results were further assessed by molecular docking.

Results: The tested furanocoumarins showed weak cholinesterase inhibitory activity. Bergapten was the most active compound against acetylcholinesterase, with an IC50 value of 92.15 µM. For butyrylcholinesterase, bergapten, and pabulenol exhibited measurable inhibition, with IC50 values of 150.25 µM and 157.28 µM, respectively.

Conclusion: This study contributes to the phytochemical characterization of Cachryscristata roots and provides the first phytochemical evidence for the occurrence of furanocoumarin-type constituents in the roots of this species. The isolated compounds exhibited weak cholinesterase inhibitory activity, suggesting that the furanocoumarin scaffold may serve as a preliminary framework for further structural optimization rather than as a source of potent cholinesterase inhibitors.

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Cite

BibTeXRIS
BibTeX
@article{kuran2026furanocoumarins,
  title = {{Furanocoumarins from the Roots of Cachrys cristata DC.: Isolation, Anticholinesterase Activity, and Molecular Docking Studies}},
  author = {Fadıl Kaan KURAN and Ceren KUŞ and Zehra Ezel DOLAP and Şule Nur KARAVUŞ KANTEMÜR and Kübra Şeyma ÖZTÜRK and Gülsüm ALTIPARMAK ÜLBEGİ and Mahmut MİSKİ},
  journal = {Turkish Journal of Pharmaceutical Sciences},
  year = {2026},
  month = oct,
  doi = {10.4274/tjps.galenos.2026.23796},
  url = {https://doi.org/10.4274/tjps.galenos.2026.23796},
  note = {CC BY-NC-ND 4.0},
}
RIS
TY  - JOUR
TI  - Furanocoumarins from the Roots of Cachrys cristata DC.: Isolation, Anticholinesterase Activity, and Molecular Docking Studies
AU  - Fadıl Kaan KURAN
AU  - Ceren KUŞ
AU  - Zehra Ezel DOLAP
AU  - Şule Nur KARAVUŞ KANTEMÜR
AU  - Kübra Şeyma ÖZTÜRK
AU  - Gülsüm ALTIPARMAK ÜLBEGİ
AU  - Mahmut MİSKİ
PY  - 2026
DA  - 2026/10/27
JO  - Turkish Journal of Pharmaceutical Sciences
DO  - 10.4274/tjps.galenos.2026.23796
UR  - https://doi.org/10.4274/tjps.galenos.2026.23796
AB  - Objectives: The present study aimed to investigate the phytochemical constituents of Cachryscristata roots, to evaluate the cholinesterase-inhibitory activity of the isolated compounds, and to assess their possible binding interactions with acetylcholinesterase and butyrylcholinesterase through molecular docking studies.  Materials and Methods: The roots were extracted with dichloromethane by Soxhlet extraction, and a coumarin-rich fraction was obtained by precipitation from the crude extract. Chromatographic purification of this fraction using Sephadex LH-20, reversed-phase C18 column chromatography, and preparative thin-layer chromatography afforded ten known furanocoumarins: oxypeucedanin hydrate, oxypeucedanin, bergapten, xanthotoxin, 3’-hydroxyprantschimgin, oxypeucedanin ethanolate (oxypeucedanin hydrate-3”-ethyl ether), pabularinone, marmesin, pabulenol and saxalin. The structures of the isolated compounds were identified by (1)H NMR spectroscopy and comparison with literature data. Selected isolated compounds were evaluated for inhibitory activity against acetylcholinesterase and butyrylcholinesterase, and the results were further assessed by molecular docking.  Results: The tested furanocoumarins showed weak cholinesterase inhibitory activity. Bergapten was the most active compound against acetylcholinesterase, with an IC50 value of 92.15 µM. For butyrylcholinesterase, bergapten, and pabulenol exhibited measurable inhibition, with IC50 values of 150.25 µM and 157.28 µM, respectively.  Conclusion: This study contributes to the phytochemical characterization of Cachryscristata roots and provides the first phytochemical evidence for the occurrence of furanocoumarin-type constituents in the roots of this species. The isolated compounds exhibited weak cholinesterase inhibitory activity, suggesting that the furanocoumarin scaffold may serve as a preliminary framework for further structural optimization rather than as a source of potent cholinesterase inhibitors.
SN  - 1304-530X
SN  - 2148-6247
ER  -