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

J Biomol Struct Dyn. 2022 Apr;40(6):2489-2497. doi: 10.1080/07391102.2020.1840440. Epub 2020 Nov 4.

Abstract

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.

Keywords: Carbonic anhydrase; Catechin 5-O-gallate; acetylcholinesterase; antioxidant activity; α-glycosidase.

MeSH terms

  • Anticonvulsants
  • Antioxidants* / chemistry
  • Antioxidants* / pharmacology
  • Catechin* / pharmacology
  • Cholinergic Antagonists / pharmacology
  • Hypoglycemic Agents / pharmacology
  • Molecular Docking Simulation

Substances

  • Anticonvulsants
  • Antioxidants
  • Cholinergic Antagonists
  • Hypoglycemic Agents
  • Catechin