Phytochemical investigation, antimicrobial activities, and molecular docking studies on endemic Gelasia sericea (Aucher ex DC.) Zaika, Sukhor. & N.Kilian grown in Türkiye

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Tarih

2025

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Taylor and Francis Ltd.

Erişim Hakkı

info:eu-repo/semantics/openAccess

Özet

n this study, activity-guided isolation of the endemic Gelasia sericea (Aucher ex DC.) Zaika, Sukhor. & N.Kilian yielded five new compounds (8-O-β-D-glucopyranosyl-6-hydroxy-3-(4-hydroxyphenyl)-1H-isochromen-1-one (1), rel. (3 R,3′S)-8,8’-oxybis[6-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-1H-isochromen-1-one] (2), 3-O-(4-O-glyceryl)-α-D-xylopyranosyl-5-methyl-4H-pyran-4-one (3), 2-carboxyl-3-hydroxy-4′-methoxy-5-O-(3-O-glyceryl)-β-D-xylopyranosylbibenzyl (4), and 2-carboxyl-3,4’-dihydroxy-5-O-(β-D-apiofuranosyl)-(1→6)-β-D-glucopyranosylbibenzyl (5). Five known compounds as p-coumaric acid (6), scorzopigmecosite (7), scorzocreticin (8), quercetin (9), and kelampayoside A (10). Spectroscopic methods were used to characterise the structures of compounds 1–10. All the isolated compounds, except compound 10, exhibited an inhibition zone diameter of 10–12 mm against at least one of the nine different microorganisms tested. Compound 8 was found to be the most effective with an MIC value of 12.5 μg/mL against Pseudomonas aeruginosa. Additionally, molecular docking analysis of compounds 1–10 was performed, targeting P. aeruginosa RhlR and DNA gyrase B enzymes. Among the identified compounds, compound 2 exhibited the most promising inhibitory activity against both targets, with binding energies of −12.0 and −11.3 kcal/mol, respectively.

Açıklama

Anahtar Kelimeler

Antimicrobial, Chromatography, Docking study, Gelasia sericea (Aucher ex DC.) Zaika, Isolation, Sukhor. & N.Kilian

Kaynak

Natural Product Research

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