Elucidation of Phosphodiesterase-1 Inhibitory Effect of Some Selected Natural Polyphenolics Using In Vitro and In Silico Methods

Rauf A., ERDOĞAN ORHAN İ., Ertas A., Temel H. , Ben Hadda T., Saleem M., ...More

CURRENT TOPICS IN MEDICINAL CHEMISTRY, vol.17, no.4, pp.412-417, 2017 (Journal Indexed in SCI) identifier

  • Publication Type: Article / Review
  • Volume: 17 Issue: 4
  • Publication Date: 2017
  • Doi Number: 10.2174/1568026616666160824103615
  • Page Numbers: pp.412-417
  • Keywords: Polyphenolics, Phosphodiesterase, Enzyme inhibition, In silico, Chlorogenic acid, CAMP-PHOSPHODIESTERASE, CHEMICAL-CONSTITUENTS, DUAL INHIBITORS, FLAVONOIDS, DOCKING, HEALTH


Background: Polyphenols are organic compounds widely found in plants and possess many diverse biological activities. In the current study, eleven polyphenolic compounds [ rutin (1), trans-ferulic acid (2), epigallaocatechin gallate (3), fumaric acid (4), chlorogenic acid (5), gallic acid (6), trans-resveratrol (7), propyl gallate (8), (+)-catechin (9), quercetin (10), and kaempferol-3-O-beta-D- galactoside (11)] have been evaluated for their in vitro inhibitory activity against phosphodiesterase- 1 (PDE-1). The active compounds 1, 5, 6, and 7 possessed IC50 values of 173.90 perpendicular to 2.58, 36.67 +/- 1.60, 325.19 +/- 3.62, and 323.81 +/- 4.25 mu M, respectively. In silico experiments were performed to elucidate the binding patterns of inhibitor molecules with the active sites of the enzymes. Result: Molecular docking studies have shown that compounds 1 and 5 have better docking results than standard inhibitor (EDTA) against the PDE-1. In conclusion, chlorogenic acid, rutin, gallic acid, and resveratrol could be promising PDE-1 inhibitors and leads to identify new drug candidates against PDE-1-associated disorders.