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

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Atıf İçin Kopyala

Sevındık H. G., Güvenalp Z., Yerdelen K. O., Yuca H., Demirezer L. Ö.

MEDICINAL CHEMISTRY RESEARCH, cilt.24, sa.11, ss.3794-3802, 2015 (SCI-Expanded)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 24 Sayı: 11
• Basım Tarihi: 2015
• Doi Numarası: 10.1007/s00044-015-1423-8
• Dergi Adı: MEDICINAL CHEMISTRY RESEARCH
• Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
• Sayfa Sayıları: ss.3794-3802
• Anahtar Kelimeler: Achillea biebersteinii, Acetylcholinesterase, Butyrylcholinesterase, Molecular docking, Total antioxidant capacity, Flavonoid glycosides, SESQUITERPENE LACTONE, MILLEFOLIUM L., ANTIOXIDANT, ALZHEIMERS
• Atatürk Üniversitesi Adresli: Evet

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).