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

Publication date: Available online 23 February 2019Source: Phytochemistry LettersAuthor(s): Abdur Rauf, Muslim Raza, Muhammad Saleem, Ilkay Erdogan Orhan, Ufuk Ozgen, Esen Sezen Karaoglan, Gulin Renda, Erhan PalaskaAbstractNatural 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-β-glucoside (1), methyl rosmarinate (2), apigenin (3), vicenin 2 (4), lithospermic acid (5), soyasaponin II (6), and rubiadin 3-O-β-primeveroside (7) were tested at 0.5 mM 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-β-glucoside (1) (IC50 = 125.01 ± 1.24 μM), apigenin (3) (IC50 = 62.50 ± 1.56 μM), and rubiadin 3-O-β-primeveroside (7) (IC50 = 93.75 ± 2.50 μM) displayed a strong inhibition as compared to the reference (EDTA, IC50 = 270.11 ± 2.65 μM). 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.Graphical abstract
Source: Phytochemistry Letters - Category: Chemistry Source Type: research