Publication: Gas chromatography–mass spectrometry analysis, in vitro activities, and in silico molecular docking of major components of michelia alba dc essential oil and scented extracts
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Issued Date
2018
Resource Type
File Type
application/pdf
ISSN
9742441
Other identifier(s)
2-s2.0-85058303326
Rights Holder(s)
Scopus
Bibliographic Citation
Asian Journal of Pharmaceutical and Clinical Research. Vol 11, No.12 (2018), p.499-504
Suggested Citation
Khammee T., Jaratrungtawee A., Kuno M. Gas chromatography–mass spectrometry analysis, in vitro activities, and in silico molecular docking of major components of michelia alba dc essential oil and scented extracts. Asian Journal of Pharmaceutical and Clinical Research. Vol 11, No.12 (2018), p.499-504. doi:10.22159/ajpcr.2018.v11i12.29043 Retrieved from: https://hdl.handle.net/20.500.14740/5771
Author(s)
Abstract
Objective: The essential oil and scented extracts of Michelia alba DC. were analyzed by gas chromatography–mass spectrometry (GC–MS) and investigated for antidiabetic activities in vitro and in silico. Methods: The identification of steam distilled essential oil and scented extracts of M. alba was performed by GC–MS on the Agilent 7890A chromatograph couple with GC-7000 Mass Triple Quadrupole. The extractions have been evaluated the antidiabetic activities by alpha-amylase (α-amylase) assay using starch as substrates. In addition, computational molecular docking analysis of significant components was studied to understanding how selected compounds interacted with α-amylase using AutoDock 4.2. Results: The yields of M. alba of steam distilled essential oil and solvent extractions including hexane, diethyl ether, and dichloromethane were 0.16%, 0.02%, 0.47%, and 0.92%, respectively. GC–MS analysis of essential oil revealed that the main component was monoterpenoids β-linalool (65.03%). Meanwhile, 2-methylbutanoic acid was a primary in hexane extract (36.54%) and dichloromethane extract (33.07%). In the case of ether extract, the primary compound was β-linalool (37.32%) same as in essential oil. The antidiabetic activities evaluation demonstrates that essential oil and scented extracts have shown promising α-amylase inhibition activity. Essential oil from steam distillation revealed the best inhibition potential with a half maximal inhibitory concentration value of 0.67±4.7 mg/ml and their significant components demonstrated negative binding energies, indicating a high affinity to the α-amylase-binding site using molecular docking simulation. Conclusion: Data from this study suggest that essential oil and scented extracts of M. alba DC possess in vitro α-amylase activities and can be used for therapy of diabetes. © 2018, Innovare Academics Sciences Pvt. Ltd. All rights reserved.