Biological effects and molecular docking studies of Catechin 5-O-gallate: antioxidant, anticholinergics, antiepileptic and antidiabetic potentials

Taslimi P., KOÇYİĞİT Ü. M., TÜZÜN B., KIRICI M.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, cilt.40, sa.6, ss.2489-2497, 2022 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 40 Sayı: 6
  • Basım Tarihi: 2022
  • Doi Numarası: 10.1080/07391102.2020.1840440
  • 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.2489-2497
  • Anahtar Kelimeler: Carbonic anhydrase, acetylcholinesterase, &#945, -glycosidase, antioxidant activity, Catechin 5-O-gallate, BORON COMPLEXES, CARBONIC-ANHYDRASE, CAFFEIC ACID, DERIVATIVES, ACETYLCHOLINESTERASE, SOLUBILITY, PROTEIN, DESIGN, MODEL
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

Gallocatechin gallate is a form of catechin and an ester of gallocatechin and gallic acid. This is an epimer of the gallate epigallocatechin. In this study, the effect of this molecule, containing a biologically active group, was investigated in terms of important metabolic enzymes (carbonic anhydrase isoenzymes I and II (hCA I and II), achethylcholinesterase (AChE) and alpha-glycosidase (alpha-Gly) enzymes). The molecular docking method used to compare the biological activities of the Catechin 5-O-gallate molecule against enzymes was used. Afterwards, the ADME/T analysis was performed to investigate the drug availability of the Catechin 5-O-gallate molecule and the parameters obtained from ADME/T analysis were examined. Continuation of this study, for evaluating antioxidant and radical scavenging capacity Catechin 5-O-gallate, cupric ion (Cu2+) reduction capacity by CUPRAC method, Fe3+-Fe2+ reducing capacity, DPPH free radical clarifying (DPPHGreek ano teleia), ABTS radical clarifying (ABTS(center dot+)) were performed separately and during the study, trolox, alpha-tocopherol BHT and BHA were used as the reference antioxidant compound. Comparisons were applied with the four standard substances.