Academic Journal
In Vitro and In Silico Studies on Unique Key Components of Hypericum Species, Focusing on Their Role in Inhibiting Enzymatic Pathways.
| Τίτλος: | In Vitro and In Silico Studies on Unique Key Components of Hypericum Species, Focusing on Their Role in Inhibiting Enzymatic Pathways. |
|---|---|
| Συγγραφείς: | Yigitkan S; Department of Pharmacognosy, Faculty of Pharmacy, Dicle University, Diyarbakir, Türkiye., Akdeniz M; The Council of Forensic Medicine, Diyarbakir Group Chairmanship, Diyarbakir, Türkiye., Ertas A; Department of Analytical Chemistry, Faculty of Pharmacy, Dicle University, Diyarbakir, Türkiye., Yener I; Department of Analytical Chemistry, Faculty of Pharmacy, Dicle University, Diyarbakir, Türkiye., Alkan H; Department of Biochemistry, Faculty of Pharmacy, Dicle University, Diyarbakir, Türkiye., Yilmaz MA; Department of Analytical Chemistry, Faculty of Pharmacy, Dicle University, Diyarbakir, Türkiye., Aydin F; Deparment of Chemistry, Faculty of Science, Dicle University, Diyarbakir, Türkiye., Kocakaya SO; Deparment of Chemistry, Faculty of Science, Dicle University, Diyarbakir, Türkiye., Koseoglu PY; Department of Analytical Chemistry, Faculty of Pharmacy, Istanbul University, Istanbul, Türkiye., Kolak U; Department of Analytical Chemistry, Faculty of Pharmacy, Istanbul University, Istanbul, Türkiye. |
| Πηγή: | Chemistry & biodiversity [Chem Biodivers] 2026 Jan; Vol. 23 (1), pp. e01956. Date of Electronic Publication: 2025 Nov 07. |
| Τύπος έκδοσης: | Journal Article |
| Γλώσσα: | English |
| Στοιχεία περιοδικού: | Publisher: Verlag Helvetica Chimica Acta Country of Publication: Switzerland NLM ID: 101197449 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1612-1880 (Electronic) Linking ISSN: 16121872 NLM ISO Abbreviation: Chem Biodivers Subsets: MEDLINE |
| Imprint Name(s): | Original Publication: Zürich, Switzerland : Hoboken, NJ : Verlag Helvetica Chimica Acta ; Distributed in the USA by Wiley, c2004- |
| Ιατρικοί όροι (MeSH): | Hypericum*/chemistry , Hypericum*/metabolism , Plant Extracts*/chemistry , Plant Extracts*/pharmacology , Plant Extracts*/isolation & purification , Antioxidants*/chemistry , Antioxidants*/pharmacology , Antioxidants*/isolation & purification , Enzyme Inhibitors*/chemistry , Enzyme Inhibitors*/pharmacology , Enzyme Inhibitors*/isolation & purification, Monophenol Monooxygenase/antagonists & inhibitors ; Monophenol Monooxygenase/metabolism ; Plant Roots/chemistry ; Plant Roots/metabolism ; Urease/antagonists & inhibitors ; Urease/metabolism ; Pancreatic Elastase/antagonists & inhibitors ; Pancreatic Elastase/metabolism ; Acetylcholinesterase/metabolism ; Collagenases/metabolism ; Plant Components, Aerial/chemistry ; Phenols/chemistry ; Phenols/pharmacology ; Phenols/isolation & purification ; Tandem Mass Spectrometry ; Humans |
| Περίληψη: | An ever-increasing number of ailments are being treated using Hypericum L. species, which are gaining both popular and scientific relevance. This study set out to thoroughly examine the chemical and biological aspects of ethanol extracts from the roots and aerial parts of the Hypericum empetrifolium subsp. empetrifolium Willd., Hypericum triquetrifolium Turra, and Hypericum pruinatum Boiss. Et. Honey species. Thus, it is aimed to shed light on the uses of Hypericum species among the public by revealing both their chemical and biological profiles. Species-specific phenolic content of the samples was determined by LC-MS/MS. In addition, antioxidant, anticholinesterase, urease, tyrosinase, elastase, collagenase, and angiotensin I-converting enzyme (ACE) inhibition activities of the extracts and some major components (chlorogenic acid, hesperidin, hyperoside, quercitrin, quercetin, pseudohypericin, hypericin) specific to Hypericum species were determined. LC-MS/MS results showed that some samples were rich in hyperoside (49 365.6 µg analyte/g extract), hesperidin (10 077.8), chlorogenic acid (15 027.8), luteolin-7-glycoside (1629.6), quercitrin (6979.7), pseudohypericin (998.8), and hypericin (386.5). The samples were found to have a high potential in CUPRAC, DPPH, and ABTS antioxidant methods. High enzyme activity was seen in particular for acetylcholinesterase (AChE) (inhibition%: 54.00 ± 0.97) H. pruinatum root ethanol extract, for butyrylcholinesterase (BChE) (inhibition%: 73.33 ± 1.49) of H. triquetrifolium aerial part ethanol extract, for urease (inhibition%: 49.20 ± 1.27) of H. empetrifolium subsp. empetrifolium aerial part ethanol extract, for tyrosinase (inhibition%: 55.40 ± 0.52) of H. pruinatum root ethanol extract, and elastase (inhibition%: 36.84 ± 0.45) of H. pruinatum aerial part ethanol extract. The enzyme inhibitory potentials of hesperidin (urease inhibition%: 54.32 ± 1.35, tyrosinase: 73.87 ± 2.06, elastase: 82.23 ± 1.41, collagenase: 67.37 ± 0.73, and ACE: 80.74 ± 0.85) and quercetin (AChE inhibition%: 57.82 ± 1.21, BChE: 92.82 ± 1.84, urease: 73.17 ± 1.79, tyrosinase: 65.25 ± 1.73, elastase: 98.04 ± 2.28, and ACE: 86.74 ± 0.85), principal constituents of Hypericum species, were shown to be significantly high on the basis of both in vitro and in silico analyses. The in vitro and in silico test findings of Hypericum species and their principal components indicate that they are promising sources of natural agents, suggesting their potential application in the food and pharmaceutical industries. (© 2025 Wiley‐VHCA AG, Zurich, Switzerland.) |
| References: | BMC Complement Altern Med. 2009 Aug 04;9:27. (PMID: 19653897) Food Chem. 2020 Oct 15;327:127045. (PMID: 32464460) Rheumatol Int. 2013 Mar;33(3):657-63. (PMID: 22527139) Mol Biol Rep. 2019 Apr;46(2):2121-2129. (PMID: 30762165) J Ethnopharmacol. 2023 Jun 28;310:116378. (PMID: 36924865) J Agric Food Chem. 2004 Dec 29;52(26):7970-81. (PMID: 15612784) Chem Biodivers. 2022 Mar;19(3):e202100844. (PMID: 35001497) Food Chem Toxicol. 2017 Sep;107(Pt B):540-553. (PMID: 28390858) J Comput Chem. 2005 Dec;26(16):1668-88. (PMID: 16200636) Biochemistry. 1996 Jul 16;35(28):9090-6. (PMID: 8703913) J Comput Chem. 2004 Oct;25(13):1605-12. (PMID: 15264254) J Ethnopharmacol. 2017 Jan 4;195:255-265. (PMID: 27864112) Respir Res. 2010 Sep 28;11:131. (PMID: 20920189) Food Res Int. 2017 Oct;100(Pt 1):579-585. (PMID: 28873724) Cell Mol Biol (Noisy-le-grand). 2018 Feb 28;64(3):72-80. (PMID: 29506633) Chem Biodivers. 2021 Jan;18(1):e2000560. (PMID: 33188649) Phytochemistry. 2019 Mar;159:56-64. (PMID: 30578929) Free Radic Biol Med. 1999 May;26(9-10):1231-7. (PMID: 10381194) PLoS One. 2018 Jun 4;13(6):e0197815. (PMID: 29864137) J Agric Food Chem. 2012 Oct 24;60(42):10572-7. (PMID: 23067328) J Ethnopharmacol. 2021 May 23;272:113933. (PMID: 33600919) Asia Pac J Clin Nutr. 2006;15(1):107-18. (PMID: 16500886) Food Res Int. 2022 Mar;153:110944. (PMID: 35227469) J Biol Chem. 2000 Feb 25;275(8):5257-63. (PMID: 10681496) Biochem Pharmacol. 1961 Jul;7:88-95. (PMID: 13726518) CNS Drugs. 2003;17(8):539-62. (PMID: 12775192) Front Pharmacol. 2021 Mar 26;12:660735. (PMID: 33841167) Int J Biochem. 1987;19(12):1141-7. (PMID: 3125075) Pharmacopsychiatry. 1997 Sep;30 Suppl 2:72-6. (PMID: 9342763) RNA. 2009 Jun;15(6):1219-30. (PMID: 19369428) J Comput Chem. 2003 Dec;24(16):1999-2012. (PMID: 14531054) |
| Grant Information: | ECZACILIK. 24.005 Dicle University Scientific Research Projects Coordination Unit Coordinatorship; ECZACILIK. 24.007 Dicle University Scientific Research Projects Coordination Unit Coordinatorship; ECZACILIK. 25.003 Dicle University Scientific Research Projects Coordination Unit Coordinatorship; FEN. 19.006 Dicle University Scientific Research Projects Coordination Unit Coordinatorship |
| Contributed Indexing: | Keywords: Hypericum; antiaging; hesperidin; hyperoside; in silico; quercetin |
| Substance Nomenclature: | EC 1.14.18.1 (Monophenol Monooxygenase) 0 (Plant Extracts) 0 (Antioxidants) EC 3.5.1.5 (Urease) 0 (Enzyme Inhibitors) EC 3.4.21.36 (Pancreatic Elastase) EC 3.1.1.7 (Acetylcholinesterase) EC 3.4.24.- (Collagenases) 0 (Phenols) |
| Entry Date(s): | Date Created: 20251107 Date Completed: 20260103 Latest Revision: 20260813 |
| Update Code: | 20260813 |
| PubMed Central ID: | PMC13421866 |
| DOI: | 10.1002/cbdv.202501956 |
| PMID: | 41202188 |
| Βάση Δεδομένων: | MEDLINE |
| ISSN: | 1612-1880 |
|---|---|
| DOI: | 10.1002/cbdv.202501956 |