The impact of some phenolic compounds on serum acetylcholinesterase: kinetic analysis of an enzyme/inhibitor interaction and molecular docking study

IŞIK M., BEYDEMİR Ş.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, cilt.39, sa.17, ss.6515-6523, 2021 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 39 Sayı: 17
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1080/07391102.2020.1801509
  • Dergi Adı: JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, BIOSIS, Chemical Abstracts Core, EMBASE, MEDLINE
  • Sayfa Sayıları: ss.6515-6523
  • Anahtar Kelimeler: Alzheimer disease, phenolic compounds, molecular docking, acetylcholinesterase inhibitor, ANTIOXIDANT ACTIVITY, CARBONIC-ANHYDRASE, OXIDATIVE STRESS, IN-SILICO, INHIBITORS, FOODS, ACIDS
  • Anadolu Üniversitesi Adresli: Evet

Özet

In the treatment of Alzheimer's disease (AD), it is important to develop alternative cholinesterase inhibitors with antioxidant properties that will reduce acetylcholine deficiency and free radical formation. The aim of this study was to investigate the effect of hydroquinone, 4-hydroxybenzoic acid, 3,5-dihydroxybenzoic acid, caffeic acid, vanillic acid and chlorogenic acid against acetylcholinesterase (AChE), partially purified from serum. Binding of compounds with effective inhibitory potential to the AChE active site as competitive was illuminated by molecular docking. Hydroquinone, chlorogenic acid and 4-hydroxybenzoic acid have been found to have higher inhibitory potential than others against the AChE.IC(50)andK(I)values of the phenolic compounds against AChE were found in the range of 0.26 +/- 0.01-36.34 +/- 2.72 mM and 0.72 +/- 0.00-29.23 +/- 2.62 mM, respectively. The effectiveness of the compounds has been associated with its structure. Consequently, the phenolic compounds, which have AChE inhibitory potential and antioxidant properties, can be considered as alternative drugs in the treatment of AD. Communicated by Ramaswamy H. Sarma