Biological Evaluation and Molecular Docking of Protocatechuic
Acid from Hibiscus sabdariffa L. as a Potent Urease Inhibitor
by an ESI-MS Based Method

J 2017

Biological Evaluation and Molecular Docking of Protocatechuic Acid from Hibiscus sabdariffa L. as a Potent Urease Inhibitor by an ESI-MS Based Method

HASSAN, STS. a Emil ŠVAJDLENKA

Základní údaje

Originální název

Biological Evaluation and Molecular Docking of Protocatechuic Acid from Hibiscus sabdariffa L. as a Potent Urease Inhibitor by an ESI-MS Based Method

Autoři

HASSAN, STS. a Emil ŠVAJDLENKA

Vydání

Molecules, BASEL, Mayer und Muller, 2017, 1420-3049

Další údaje

Jazyk

angličtina

Typ výsledku

Článek v odborném periodiku

Utajení

není předmětem státního či obchodního tajemství

Impakt faktor

Impact factor: 3.098

Označené pro přenos do RIV

DOI

https://doi.org/10.3390/molecules22101696

UT WoS

000414670600123

Klíčová slova anglicky

ESI-Mass spectrometry; urease inhibitors; molecular docking; Hibiscus sabdariffa L.; protocatechuic acid; cytotoxicity

Změněno: 24. 2. 2021 14:18, PharmDr. Jitka Michlíčková

Anotace

V originále

Studies on enzyme inhibition remain a crucial area in drug discovery since these studies have led to the discoveries of new lead compounds useful in the treatment of several diseases. In this study, protocatechuic acid (PCA), an active compound from Hibiscus sabdariffa L. has been evaluated for its inhibitory properties against jack bean urease (JBU) as well as its possible toxic effect on human gastric epithelial cells (GES-1). Anti-urease activity was evaluated by an Electrospray Ionization-Mass Spectrometry (ESI-MS) based method, while cytotoxicity was assayed by the MTT method. PCA exerted notable anti-JBU activity compared with that of acetohydroxamic acid (AHA), with IC50 values of 1.7 and 3.2 mu M, respectively. PCA did not show any significant cytotoxic effect on (GES-1) cells at concentrations ranging from 1.12 to 3.12 mu M. Molecular docking study revealed high spontaneous binding ability of PCA to the active site of urease. Additionally, the anti-urease activity was found to be related to the presence of hydroxyl moieties of PCA. This study presents PCA as a natural urease inhibitor, which could be used safely in the treatment of diseases caused by urease-producing bacteria.

Citovat

HASSAN, STS. a Emil ŠVAJDLENKA. Biological Evaluation and Molecular Docking of Protocatechuic Acid from Hibiscus sabdariffa L. as a Potent Urease Inhibitor by an ESI-MS Based Method. Molecules. BASEL: Mayer und Muller, 2017, roč. 22, č. 10, 11 s. ISSN 1420-3049. Dostupné z: https://doi.org/10.3390/molecules22101696.

@article{1727041,
   author = {Hassan, STS. and Švajdlenka, Emil},
   article_location = {BASEL},
   article_number = {10},
   doi = {https://doi.org/10.3390/molecules22101696},
   keywords = {ESI-Mass spectrometry; urease inhibitors; molecular docking; Hibiscus sabdariffa L.; protocatechuic acid; cytotoxicity},
   language = {eng},
   issn = {1420-3049},
   journal = {Molecules},
   title = {Biological Evaluation and Molecular Docking of Protocatechuic Acid from Hibiscus sabdariffa L. as a Potent Urease Inhibitor by an ESI-MS Based Method},
   volume = {22},
   year = {2017}
}

TY  - JOUR
ID  - 1727041
AU  - Hassan, STS. - Švajdlenka, Emil
PY  - 2017
TI  - Biological Evaluation and Molecular Docking of Protocatechuic Acid from Hibiscus sabdariffa L. as a Potent Urease Inhibitor by an ESI-MS Based Method
JF  - Molecules
VL  - 22
IS  - 10
PB  - Mayer und Muller
SN  - 14203049
KW  - ESI-Mass spectrometry
KW  - urease inhibitors
KW  - molecular docking
KW  - Hibiscus sabdariffa L.
KW  - protocatechuic acid
KW  - cytotoxicity
N2  - Studies on enzyme inhibition remain a crucial area in drug discovery since these studies have led to the discoveries of new lead compounds useful in the treatment of several diseases. In this study, protocatechuic acid (PCA), an active compound from Hibiscus sabdariffa L. has been evaluated for its inhibitory properties against jack bean urease (JBU) as well as its possible toxic effect on human gastric epithelial cells (GES-1). Anti-urease activity was evaluated by an Electrospray Ionization-Mass Spectrometry (ESI-MS) based method, while cytotoxicity was assayed by the MTT method. PCA exerted notable anti-JBU activity compared with that of acetohydroxamic acid (AHA), with IC50 values of 1.7 and 3.2 mu M, respectively. PCA did not show any significant cytotoxic effect on (GES-1) cells at concentrations ranging from 1.12 to 3.12 mu M. Molecular docking study revealed high spontaneous binding ability of PCA to the active site of urease. Additionally, the anti-urease activity was found to be related to the presence of hydroxyl moieties of PCA. This study presents PCA as a natural urease inhibitor, which could be used safely in the treatment of diseases caused by urease-producing bacteria.
ER  -

HASSAN, STS. a Emil ŠVAJDLENKA. Biological Evaluation and Molecular Docking of Protocatechuic Acid from Hibiscus sabdariffa L. as a Potent Urease Inhibitor by an ESI-MS Based Method. \textit{Molecules}. BASEL: Mayer und Muller, 2017, roč.~22, č.~10, 11 s. ISSN~1420-3049. Dostupné z: https://doi.org/10.3390/molecules22101696.

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