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

RAUF A., RAZA M., SALEEM M., Orhan I. E. , ÖZGEN U. , Karaoglan E. S. , ...Daha Fazla

PHYTOCHEMISTRY LETTERS, cilt.30, ss.356-361, 2019 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 30
  • Basım Tarihi: 2019
  • Doi Numarası: 10.1016/j.phytol.2019.02.026
  • Sayfa Sayıları: ss.356-361


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.