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

Parham TaslimiÜmit M KocyigitBurak TüzünMahinur Kirici
Published in: Journal of biomolecular structure & dynamics (2020)
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 α-glycosidase (α-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 (DPPH·), ABTS radical clarifying (ABTS•+) were performed separately and during the study, trolox, α-tocopherol BHT and BHA were used as the reference antioxidant compound. Comparisons were applied with the four standard substances. Communicated by Ramaswamy H. Sarma.
Keyphrases
  • molecular docking
  • molecular dynamics simulations
  • oxidative stress
  • anti inflammatory
  • mass spectrometry
  • adverse drug
  • case control
  • visible light