title: Elucidation of Phosphodiesterase-1 Inhibitory Effect of Some Selected Natural Polyphenolics Using In Vitro and In Silico Methods.
abstract: 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-β-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 ± 2.58, 36.67 ± 1.60, 325.19 ± 3.62, and 323.81 ± 4.25 μM, respectively. In silico experiments were performed to elucidate the binding patterns of inhibitor molecules with the active sites of the enzymes.
  
  
  RESULTS
  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.
authors: Abdur
authors: A
authors: Rauf
authors: Department of Pharmacognosy, Faculty of Pharmacy, Gazi University, 06330 Ankara, Turkey.
authors: Ilkay Erdogan
authors: IE
authors: Orhan
authors: Abdulselam
authors: A
authors: Ertas
authors: Hamdi
authors: H
authors: Temel
authors: Taibi Ben
authors: TB
authors: Hadda
authors: Muhammad
authors: M
authors: Saleem
authors: Muslim
authors: M
authors: Raza
authors: Haroon
authors: H
authors: Khan
mesh_terms: D001688:Biological Products / Q000494:pharmacology*; D003198:Computer Simulation; D004791:Enzyme Inhibitors / Q000494:pharmacology*; D066298:In Vitro Techniques; D010726:Phosphodiesterase Inhibitors / Q000494:pharmacology*; D059808:Polyphenols / Q000494:pharmacology*
chemical_list: D001688:Biological Products; D004791:Enzyme Inhibitors; D010726:Phosphodiesterase Inhibitors; D059808:Polyphenols