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α-Glucosidase inhibitors from the aerial part of Thymus fedtschenkoi: isolation, kinetic and molecular docking study

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Thymus fedtschenkoi Ronniger from Lamiaceae family is an endemic Iranian plant and used as traditional remedy by local people. The present study, evaluated ɑ-glucosidase inhibitory potentials of T. fedtschenkoi fractions and its compounds. The aerial part of T. fedtschenkoi was extracted with methanol/water and fractioned by n-hexane, chloroform, and n-butanol solvents, successively. The n-butanol fraction with the highest α-glucosidase inhibitory effect was further investigated with open column chromatography. The structures of isolated compounds were elucidated by 1H-NMR and 13C-NMR spectral analyses. In addition, antidiabetic potentials of the fractions and the isolated compounds were assessed through an in vitro ɑ-glucosidase inhibitory test and kinetic and molecular docking studies were done for the isolated compounds. Eight phenolic compounds including 3, 4-di-O-feruloyl quinic acid (1), luteolin-7-O-rutinoside (2), luteolin (3), rosmarinic acid methyl ester (4), rosmarinic acid (5), apigenin-7-O-glucoside (6), luteolin-7-O-glucuronide (7), and luteolin-7-O-glucoside (8) were isolated. According to the results, compound 5 was the most potent α-glucosidase inhibitor with IC50 value of 43.38 ± 0.05 μM which was about 17 times lower than the IC50 value of the acarbose as reference compound (750.0 ± 1.0 μM). The present study showed a good potency for the n-butanol fraction of T. fedtschenkoi and its compounds to inhibit α-glucosidase enzyme.

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This research was supported by Tehran University of Medical Sciences and Health Services Grants (No. 99-03-33-39646).

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Correspondence to Mohammad-Reza Delnavazi.

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Mohammadi-Liri, A., Parsa-Khankandi, H., Dehnoee, A. et al. α-Glucosidase inhibitors from the aerial part of Thymus fedtschenkoi: isolation, kinetic and molecular docking study. Chem. Pap. 77, 571–581 (2023).

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