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

Rauf A., ERDOĞAN ORHAN İ., ERTAŞ A., TEMEL H., Ben Hadda T., Saleem M., ...Daha Fazla

CURRENT TOPICS IN MEDICINAL CHEMISTRY, cilt.17, sa.4, ss.412-417, 2017 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Derleme
  • Cilt numarası: 17 Sayı: 4
  • Basım Tarihi: 2017
  • Doi Numarası: 10.2174/1568026616666160824103615
  • Dergi Adı: CURRENT TOPICS IN MEDICINAL CHEMISTRY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.412-417
  • Anahtar Kelimeler: Polyphenolics, Phosphodiesterase, Enzyme inhibition, In silico, Chlorogenic acid, CAMP-PHOSPHODIESTERASE, CHEMICAL-CONSTITUENTS, DUAL INHIBITORS, FLAVONOIDS, DOCKING, HEALTH
  • Gazi Üniversitesi Adresli: Evet

Özet

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.