Semih Bulut, Ravzagül Toslak, Muhammed Tilahun Muhammed, Ahmet Kahraman, Mustafa Abdullah Yilmaz
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Antioxidant, Antidiabetic, and Antiobesity Properties of Stachys cretica subsp. anatolica and Its LC-MS/MS Analysis: In Vitro and In Silico Studies.
For many years, Stachys species have been traditionally used against various diseases. This study was carried out to analyze the chemical content of the aerial parts of Stachys cretica subsp. anatolica and to investigate its antioxidant, antidiabetic, and antiobesity effects. Moreover, it was aimed to carry out a molecular modeling study between the strongest activity shown by the extract and its main chemical component. Although the antidiabetic and antiobesity effects of the extract were evaluated by enzyme inhibition tests, its chemical content was analyzed by liquid chromatography-mass spectrometry/mass spectrometry (LC-MS/MS). Molecular modeling studies based on the major component of the extract were investigated by molecular docking and molecular dynamics simulation methods. The extract had significant antioxidant activity and α-glucosidase inhibitory activity (IC50: 24.18 ± 1.44 µg/mL). The extract was found to be rich in quinic acid (55.708 mg/g extract). On the other hand, the computational study disclosed that the major phytocomponents could bind to the α-glucosidase structure and form a stable complex. In conclusion, this extract may be an important resource for pharmaceutical industries.
期刊介绍:
Chemistry & Biodiversity serves as a high-quality publishing forum covering a wide range of biorelevant topics for a truly international audience. This journal publishes both field-specific and interdisciplinary contributions on all aspects of biologically relevant chemistry research in the form of full-length original papers, short communications, invited reviews, and commentaries. It covers all research fields straddling the border between the chemical and biological sciences, with the ultimate goal of broadening our understanding of how nature works at a molecular level.
Since 2017, Chemistry & Biodiversity is published in an online-only format.