Phosphodiesterase-1 inhibitory potential of several natural products by molecular docking approach

Rauf A., Raza M., Saleem M., ERDOĞAN ORHAN İ., ÖZGEN U., SEZEN KARAOĞLAN E., ...More

PHYTOCHEMISTRY LETTERS, vol.30, pp.356-361, 2019 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 30
  • Publication Date: 2019
  • Doi Number: 10.1016/j.phytol.2019.02.026
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.356-361
  • Hacettepe University Affiliated: Yes


Natural products of herbal origin are well-known to exhibit diverse biological activities. In the present study, a number of natural compounds of plant origin; luteolin 5-O-beta-glucoside (1), methyl rosmarinate (2), apigenin (3), vicenin 2 (4), lithospermic acid (5), soyasaponin II (6), and rubiadin 3-O-beta-primeveroside (7) were tested at 0.5mM using ELISA microtiter assay against phosphodiesterase-1 (PDE-1), which plays role in smooth muscle activity and inflammation. Among the tested compounds, luteolin 5-O-beta-glucoside (1) (IC50 = 125.01 +/- 1.24 mu M), apigenin (3) (IC50 = 62.50 +/- 1.56 mu M), and rubiadin 3-O-beta-primeveroside (7) (IC50 = 93.75 +/- 2.50 mu M) displayed a strong inhibition as compared to the reference (EDTA, IC50 = 270.11 +/- 2.65 mu M). Besides, the active three compounds (1, 3, and 7) were proceeded to molecular docking experiments using two docking softwares (Autodock Vina and i-GEMDOCK) and showed clear interactions with active gorge of the enzyme through hydrogen bondings as well as hydrophobic contacts.