Antioxidant activity and α -glucosidase inhibitability of Distichochlamys citrea M.F. Newman rhizome fractionated extracts: in vitro and in silico screenings.

Autor: Van Chen T; Faculty of Pharmacy, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, 700000 Vietnam., Cuong TD; Phenikaa University Nano Institute (PHENA), Phenikaa University, Yen Nghia, Ha Dong District, Hanoi, 12116 Vietnam., Quy PT; Department of Natural Sciences and Technology, Tay Nguyen University, Buon Ma Thuot, 630000 Vietnam., Bui TQ; Department of Chemistry, University of Sciences, Hue University, Hue City, 530000 Vietnam., Van Tuan L; Department of Environmental Science, University of Sciences, Hue University, Hue City, 530000 Vietnam., Van Hue N; Faculty of Engineering and Food Technology, University of Agriculture and Forestry, Hue University, Hue City, 530000 Vietnam., Triet NT; Faculty of Traditional Medicine, University of Medicine and Pharmacy at Ho Chi Minh City, Ho Chi Minh City, 700000 Vietnam., Ho DV; Faculty of Pharmacy, Hue University of Medicine and Pharmacy, Hue University, Hue City, 530000 Vietnam., Bao NC; Hue University, Hue City, 530000 Vietnam., Nhung NTA; Department of Chemistry, University of Sciences, Hue University, Hue City, 530000 Vietnam.
Jazyk: angličtina
Zdroj: Chemicke zvesti [Chem Zvesti] 2022; Vol. 76 (9), pp. 5655-5675. Date of Electronic Publication: 2022 Jun 01.
DOI: 10.1007/s11696-022-02273-2
Abstrakt: Distichochlamys citrea M.F. Newman (commonly known as "Black Ginger") is an endemic plant to Vietnam and has been extensively exploited by folk medication for treatments of infection-related diseases and diabetes. In this work, its rhizomes were subjected to fractionated extraction, phytochemical examination, evaluation of antioxidant effect by DDPH free radical neutralization, and inhibitory activity toward α -glucosidase. The compositional components were subjected to in silico screening, including density functional theory calculation, molecular docking simulation, physicochemical analysis, and pharmacokinetic regression. In the trials, EtOAc fraction is found as the bioactive part of most effectiveness, regarding both antioxidant effect (IC 50  = 90.27 µg mL -1 ) and α -glucosidase inhibitory activity (IC 50  = 115.75 μg mL -1 ). Chemical determination reveals there are 13 components of its composition. DFT-based calculations find no abnormal constraints in their structures. Docking-based simulation provides order of inhibitory effectiveness: 3-P53341  >  12-P53341  >  7-P53341  >  4-P53341  >  11-P53341  >  10-P53341 . QSARIS-based investigations implicate their biocompatibility. ADMET-based regressions indicate that all candidates are generally safe for medicinal applications. The findings would contribute to the basis for further studies on the chemical compositions of Distichochlamys citrea and their biological activities.
Supplementary Information: The online version contains supplementary material available at 10.1007/s11696-022-02273-2.
Competing Interests: Conflict of interestOn behalf of all authors, the corresponding author states that there is no conflict of interest.
(© Institute of Chemistry, Slovak Academy of Sciences 2022.)
Databáze: MEDLINE
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