Research on drug candidate anticholinesterase molecules from Achillea biebersteinii Afan. using by molecular docking and in vitro methods

Sevındık, Handan Gökben; Güvenalp, Zühal; Yerdelen, Kadir O.; Yuca, Hafize; Demirezer, Lütfiye Ömür

doi:10.1007/s00044-015-1423-8

Makale Tam Makale Uluslararası 2015

Research on drug candidate anticholinesterase molecules from Achillea biebersteinii Afan. using by molecular docking and in vitro methods

Handan Gökben Sevındık, Zühal Güvenalp, Kadir O. Yerdelen, Hafize Yuca, Lütfiye Ömür Demirezer

MEDICINAL CHEMISTRY RESEARCH Cilt 24 · Sayı 11 · ss. 3794–3802 · 01.11.2015

DOI ile aç

Özet

Quercetin-7-O-beta-D-glucoside (1) and patuletin-7-O-beta-D-glucoside (2) isolated from Achillea biebersteinii and different extracts of aerial parts of the plant were investigated for antioxidant and anticholinesterase effects. The ethyl acetate extract possessed the highest inhibitory activity against acetylcholinesterase (67.2 +/- A 1.32 %), whereas it showed lower inhibitory activity against butyrylcholinesterase (50.3 +/- A 1.03 %) as compared with neostigmine (100 %), at 200 mu g/mL. Compound 2 exhibited the strongest inhibition to acetylcholinesterase and compound 1 did so to butyrylcholinesterase with IC50 values of 1.77 and 2.24 A mu M, respectively. Additionally, compound 1 showed the strongest antioxidant capacity. Docking simulations revealed that compounds 1 and 2 targeted both the catalytic and the peripheral active sites of acetylcholinesterase and butyrylcholinesterase with many hydrogen bond interactions. The ethyl acetate extract has the richest phenolic content (205.7 GAE/mg ext), and the best antioxidant capacity results were observed with it among the tested extracts. The mean amount of total flavonoids was 3.39 % (calculated as rutin).

Anahtar kelimeler

total antioxidant capacity antioxidant SESQUITERPENE LACTONE ALZHEIMERS Achillea biebersteinii Acetylcholinesterase Butyrylcholinesterase Molecular docking Flavonoid glycosides MILLEFOLIUM L.

Atıf için künye

Sevındık, H. G., Güvenalp, Z., Yerdelen, K. O., Yuca, H., & Demirezer, L. Ö. (2015). Research on drug candidate anticholinesterase molecules from Achillea biebersteinii Afan. using by molecular docking and in vitro methods. MEDICINAL CHEMISTRY RESEARCH, 24(11), 3794–3802. https://doi.org/10.1007/s00044-015-1423-8

BibTeX

@article{sevindik2015-18523,
  author = {Sevındık, Handan Gökben and Güvenalp, Zühal and Yerdelen, Kadir O. and Yuca, Hafize and Demirezer, Lütfiye Ömür},
  title = {Research on drug candidate anticholinesterase molecules from Achillea biebersteinii Afan. using by molecular docking and in vitro methods},
  journal = {MEDICINAL CHEMISTRY RESEARCH},
  year = {2015},
  volume = {24},
  number = {11},
  pages = {3794--3802},
  issn = {1054-2523},
  doi = {10.1007/s00044-015-1423-8},
  url = {https://akademik.atauni.edu.tr/yayinlar/18523-research-on-drug-candidate-anticholinesterase-molecules-from-achillea}
}