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

Author(s): Abdur Rauf, Ilkay Erdogan Orhan, Abdulselam Ertas, Hamdi Temel, Taibi Ben Hadda, Muhammad Saleem, Muslim Raza, Haroon Khan.

Journal Name: Current Topics in Medicinal Chemistry

Volume 17 , Issue 4 , 2017

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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.

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.

Keywords: Polyphenolics, Phosphodiesterase, Enzyme inhibition, In silico, Chlorogenic acid.

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Article Details

VOLUME: 17
ISSUE: 4
Year: 2017
Page: [412 - 417]
Pages: 6
DOI: 10.2174/1568026616666160824103615
Price: $58

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