Flavonoids from Sideritis Species: Human Monoamine Oxidase (hMAO) Inhibitory Activities Molecular Docking Studies and Crystal Structure of Xanthomicrol

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Date

2015

Authors

Baysal, Ipek
Çiftçi-Yabanoğlu, Samiye
Yelekçi, Kemal
Temel, Hamdi
Paşa, Salih
Ezer, Nurten
Çalış, Ihsan
Uçar, Gülberk

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Publisher

MDPI

Research Projects

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Abstract

The inhibitory effects of flavonoids on monoamine oxidases (MAOs) have attracted great interest since alterations in monoaminergic transmission are reported to be related to neurodegenerative diseases such as Parkinson's and Alzheimer's diseases and psychiatric disorders such as depression and anxiety thus MAOs may be considered as targets for the treatment of these multi-factorial diseases. In the present study four Sideritis flavonoids xanthomicrol (1) isoscutellarein 7-O-[6'''-O-acetyl--d-allopyranosyl-(12)]--d-glucopyranoside (2) isoscutellarein 7-O-[6'''-O-acetyl--d-allopyranosyl-(12)]-6''-O-acetyl--d-glucopyranoside (3) and salvigenin (4) were docked computationally into the active site of the human monoamine oxidase isoforms (hMAO-A and hMAO-B) and were also investigated for their hMAO inhibitory potencies using recombinant hMAO isoenzymes. The flavonoids inhibited hMAO-A selectively and reversibly in a competitive mode. Salvigenin (4) was found to be the most potent hMAO-A inhibitor while xanthomicrol (1) appeared as the most selective hMAO-A inhibitor. The computationally obtained results were in good agreement with the corresponding experimental values. In addition the x-ray structure of xanthomicrol (1) has been shown. The current work warrants further preclinical studies to assess the potential of xanthomicrol (1) and salvigenin (4) as new selective and reversible hMAO-A inhibitors for the treatment of depression and anxiety.

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Keywords

Sideritis, Flavonoid, Xanthomicrol, Salvigenin, Monoamine oxidase, Inhibition, Molecular docking, X-ray diffraction investigation

Turkish CoHE Thesis Center URL

Citation

26

WoS Q

N/A

Scopus Q

Q1

Source

Volume

20

Issue

5

Start Page

7454

End Page

7473