The Binding of Alpinia galanga Oil and Its Nanoemulsion to Mammal GABA(A) Receptors Using Rat Cortical Membranes and an In Silico Modeling Platform

Research output: Contribution to journal › Journal article › Research › peer-review

Standard

The Binding of Alpinia galanga Oil and Its Nanoemulsion to Mammal GABA(A) Receptors Using Rat Cortical Membranes and an In Silico Modeling Platform. / Khumpirapang, Nattakanwadee; Suknuntha, Krit; Wongrattanakamon, Pathomwat; Jiranusornkul, Supat; Anuchapreeda, Songyot; Wellendorph, Petrine; Mullertz, Anette; Rades, Thomas; Okonogi, Siriporn.

In: Pharmaceutics, Vol. 14, No. 3, 650, 2022.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Khumpirapang, N, Suknuntha, K, Wongrattanakamon, P, Jiranusornkul, S, Anuchapreeda, S, Wellendorph, P, Mullertz, A, Rades, T & Okonogi, S 2022, 'The Binding of Alpinia galanga Oil and Its Nanoemulsion to Mammal GABA(A) Receptors Using Rat Cortical Membranes and an In Silico Modeling Platform', Pharmaceutics, vol. 14, no. 3, 650. https://doi.org/10.3390/pharmaceutics14030650

APA

Khumpirapang, N., Suknuntha, K., Wongrattanakamon, P., Jiranusornkul, S., Anuchapreeda, S., Wellendorph, P., Mullertz, A., Rades, T., & Okonogi, S. (2022). The Binding of Alpinia galanga Oil and Its Nanoemulsion to Mammal GABA(A) Receptors Using Rat Cortical Membranes and an In Silico Modeling Platform. Pharmaceutics, 14(3), [650]. https://doi.org/10.3390/pharmaceutics14030650

Vancouver

Khumpirapang N, Suknuntha K, Wongrattanakamon P, Jiranusornkul S, Anuchapreeda S, Wellendorph P et al. The Binding of Alpinia galanga Oil and Its Nanoemulsion to Mammal GABA(A) Receptors Using Rat Cortical Membranes and an In Silico Modeling Platform. Pharmaceutics. 2022;14(3). 650. https://doi.org/10.3390/pharmaceutics14030650

Author

Khumpirapang, Nattakanwadee ; Suknuntha, Krit ; Wongrattanakamon, Pathomwat ; Jiranusornkul, Supat ; Anuchapreeda, Songyot ; Wellendorph, Petrine ; Mullertz, Anette ; Rades, Thomas ; Okonogi, Siriporn. / The Binding of Alpinia galanga Oil and Its Nanoemulsion to Mammal GABA(A) Receptors Using Rat Cortical Membranes and an In Silico Modeling Platform. In: Pharmaceutics. 2022 ; Vol. 14, No. 3.

Bibtex

@article{e76170a8ff3b428e9ee25e66cd2bb884,
title = "The Binding of Alpinia galanga Oil and Its Nanoemulsion to Mammal GABA(A) Receptors Using Rat Cortical Membranes and an In Silico Modeling Platform",
abstract = "The anesthetic effect of Alpinia galanga oil (AGO) has been reported. However, knowledge of its pathway in mammals is limited. In the present study, the binding of AGO and its key compounds, methyl eugenol, 1,8-cineole, and 4-allylphenyl acetate, to gamma-aminobutyric acid type A (GABA(A)) receptors in rat cortical membranes, was investigated using a [H-3]muscimol binding assay and an in silico modeling platform. The results showed that only AGO and methyl eugenol displayed a positive modulation at the highest concentrations, whereas 1,8-cineole and 4-allylphenyl acetate were inactive. The result of AGO correlated well to the amount of methyl eugenol in AGO. Computational docking and dynamics simulations into the GABA(A) receptor complex model (PDB: 6X3T) showed the stable structure of the GABA(A) receptor-methyl eugenol complex with the lowest binding energy of -22.16 kcal/mol. This result shows that the anesthetic activity of AGO and methyl eugenol in mammals is associated with GABA(A) receptor modulation. An oil-in-water nanoemulsion containing 20% w/w AGO (NE-AGO) was formulated. NE-AGO showed a significant increase in specific [H-3]muscimol binding, to 179% of the control, with an EC50 of 391 mu g/mL. Intracellular studies show that normal human cells are highly tolerant to AGO and the nanoemulsion, indicating that NE-AGO may be useful for human anesthesia.",
keywords = "Alpinia galanga, essential oil, mammal anesthesia, anesthetic pathway, positive allosteric modulation, binding assay, CLOVE OIL, METHYLEUGENOL, ANTIOXIDANT, 1,8-CINEOLE, MODULATION, ADSORPTION, EXTRACTS, RHIZOMES, CURRENTS, GLYCINE",
author = "Nattakanwadee Khumpirapang and Krit Suknuntha and Pathomwat Wongrattanakamon and Supat Jiranusornkul and Songyot Anuchapreeda and Petrine Wellendorph and Anette Mullertz and Thomas Rades and Siriporn Okonogi",
year = "2022",
doi = "10.3390/pharmaceutics14030650",
language = "English",
volume = "14",
journal = "Pharmaceutics",
issn = "1999-4923",
publisher = "MDPI AG",
number = "3",

}

RIS

TY - JOUR

T1 - The Binding of Alpinia galanga Oil and Its Nanoemulsion to Mammal GABA(A) Receptors Using Rat Cortical Membranes and an In Silico Modeling Platform

AU - Khumpirapang, Nattakanwadee

AU - Suknuntha, Krit

AU - Wongrattanakamon, Pathomwat

AU - Jiranusornkul, Supat

AU - Anuchapreeda, Songyot

AU - Wellendorph, Petrine

AU - Mullertz, Anette

AU - Rades, Thomas

AU - Okonogi, Siriporn

PY - 2022

Y1 - 2022

N2 - The anesthetic effect of Alpinia galanga oil (AGO) has been reported. However, knowledge of its pathway in mammals is limited. In the present study, the binding of AGO and its key compounds, methyl eugenol, 1,8-cineole, and 4-allylphenyl acetate, to gamma-aminobutyric acid type A (GABA(A)) receptors in rat cortical membranes, was investigated using a [H-3]muscimol binding assay and an in silico modeling platform. The results showed that only AGO and methyl eugenol displayed a positive modulation at the highest concentrations, whereas 1,8-cineole and 4-allylphenyl acetate were inactive. The result of AGO correlated well to the amount of methyl eugenol in AGO. Computational docking and dynamics simulations into the GABA(A) receptor complex model (PDB: 6X3T) showed the stable structure of the GABA(A) receptor-methyl eugenol complex with the lowest binding energy of -22.16 kcal/mol. This result shows that the anesthetic activity of AGO and methyl eugenol in mammals is associated with GABA(A) receptor modulation. An oil-in-water nanoemulsion containing 20% w/w AGO (NE-AGO) was formulated. NE-AGO showed a significant increase in specific [H-3]muscimol binding, to 179% of the control, with an EC50 of 391 mu g/mL. Intracellular studies show that normal human cells are highly tolerant to AGO and the nanoemulsion, indicating that NE-AGO may be useful for human anesthesia.

AB - The anesthetic effect of Alpinia galanga oil (AGO) has been reported. However, knowledge of its pathway in mammals is limited. In the present study, the binding of AGO and its key compounds, methyl eugenol, 1,8-cineole, and 4-allylphenyl acetate, to gamma-aminobutyric acid type A (GABA(A)) receptors in rat cortical membranes, was investigated using a [H-3]muscimol binding assay and an in silico modeling platform. The results showed that only AGO and methyl eugenol displayed a positive modulation at the highest concentrations, whereas 1,8-cineole and 4-allylphenyl acetate were inactive. The result of AGO correlated well to the amount of methyl eugenol in AGO. Computational docking and dynamics simulations into the GABA(A) receptor complex model (PDB: 6X3T) showed the stable structure of the GABA(A) receptor-methyl eugenol complex with the lowest binding energy of -22.16 kcal/mol. This result shows that the anesthetic activity of AGO and methyl eugenol in mammals is associated with GABA(A) receptor modulation. An oil-in-water nanoemulsion containing 20% w/w AGO (NE-AGO) was formulated. NE-AGO showed a significant increase in specific [H-3]muscimol binding, to 179% of the control, with an EC50 of 391 mu g/mL. Intracellular studies show that normal human cells are highly tolerant to AGO and the nanoemulsion, indicating that NE-AGO may be useful for human anesthesia.

KW - Alpinia galanga

KW - essential oil

KW - mammal anesthesia

KW - anesthetic pathway

KW - positive allosteric modulation

KW - binding assay

KW - CLOVE OIL

KW - METHYLEUGENOL

KW - ANTIOXIDANT

KW - 1,8-CINEOLE

KW - MODULATION

KW - ADSORPTION

KW - EXTRACTS

KW - RHIZOMES

KW - CURRENTS

KW - GLYCINE

U2 - 10.3390/pharmaceutics14030650

DO - 10.3390/pharmaceutics14030650

M3 - Journal article

C2 - 35336025

VL - 14

JO - Pharmaceutics

JF - Pharmaceutics

SN - 1999-4923

IS - 3

M1 - 650

ER -

ID: 305180813