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Bioactivities of Centaurium erythraea (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies.
Molecules. 2019 Oct 22; 24(20)M

Abstract

Centaurium erythraea is recommended for the treatment of gastrointestinal disorders and to reduce hypercholesterolemia in ethno-medicinal practice. To perform a top-down study that could give some insight into the molecular basis of these bioactivities, decoctions from C. erythraea leaves were prepared and the compounds were identified by liquid chromatography-high resolution tandem mass spectrometry (LC-MS/MS). Secoiridoids glycosides, like gentiopicroside and sweroside, and several xanthones, such as di-hydroxy-dimethoxyxanthone, were identified. Following some of the bioactivities previously ascribed to C. erythraea, we have studied its antioxidant capacity and the ability to inhibit acetylcholinesterase (AChE) and 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR). Significant antioxidant activities were observed, following three assays: free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) reduction; lipoperoxidation; and NO radical scavenging capacity. The AChE and HMGR inhibitory activities for the decoction were also measured (56% at 500 μg/mL and 48% at 10 μg/mL, respectively). Molecular docking studies indicated that xanthones are better AChE inhibitors than gentiopicroside, while this compound exhibits a better shape complementarity with the HMGR active site than xanthones. To the extent of our knowledge, this is the first report on AChE and HMGR activities by C. erythraea decoctions, in a top-down analysis, complemented with in silico molecular docking, which aims to understand, at the molecular level, some of the biological effects ascribed to infusions from this plant.

Authors+Show Affiliations

Faculty of Sciences, BioISI-Biosystems & Integrative Sciences Institute, University of Lisbon, 1649-004 Lisboa, Portugal. lrguedes@fc.ul.pt.Faculty of Sciences, CQB-Centre of Chemistry and Biochemistry, University of Lisbon, 1649-004 Lisboa, Portugal. pdreis@ciencias.ulisboa.pt.Faculty of Sciences, CQB-Centre of Chemistry and Biochemistry, University of Lisbon, 1649-004 Lisboa, Portugal. machuque@ciencias.ulisboa.pt.Faculty of Sciences, BioISI-Biosystems & Integrative Sciences Institute, University of Lisbon, 1649-004 Lisboa, Portugal. aressaissi@fc.ul.pt.Faculty of Sciences, BioISI-Biosystems & Integrative Sciences Institute, University of Lisbon, 1649-004 Lisboa, Portugal. rpacheco@deq.isel.ipl.pt. Área Departamental de Engenharia Química, Instituto Superior de Engenharia de Lisboa, Av. Conselheiro Emídio Navarro, 1959-007 Lisboa, Portugal. rpacheco@deq.isel.ipl.pt.Faculty of Sciences, BioISI-Biosystems & Integrative Sciences Institute, University of Lisbon, 1649-004 Lisboa, Portugal. mlserralheiro@fc.ul.pt. Faculty of Sciences, Departamento de Química e Bioquímica, University of Lisbon, Campo Grande, 1749-016 Lisboa, Portugal. mlserralheiro@fc.ul.pt.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

31652501

Citation

Guedes, Laura, et al. "Bioactivities of Centaurium Erythraea (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies." Molecules (Basel, Switzerland), vol. 24, no. 20, 2019.
Guedes L, Reis PBPS, Machuqueiro M, et al. Bioactivities of Centaurium erythraea (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies. Molecules. 2019;24(20).
Guedes, L., Reis, P. B. P. S., Machuqueiro, M., Ressaissi, A., Pacheco, R., & Serralheiro, M. L. (2019). Bioactivities of Centaurium erythraea (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies. Molecules (Basel, Switzerland), 24(20). https://doi.org/10.3390/molecules24203795
Guedes L, et al. Bioactivities of Centaurium Erythraea (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies. Molecules. 2019 Oct 22;24(20) PubMed PMID: 31652501.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Bioactivities of Centaurium erythraea (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies. AU - Guedes,Laura, AU - Reis,Pedro B P S, AU - Machuqueiro,Miguel, AU - Ressaissi,Asma, AU - Pacheco,Rita, AU - Serralheiro,Maria Luísa, Y1 - 2019/10/22/ PY - 2019/09/17/received PY - 2019/10/09/revised PY - 2019/10/21/accepted PY - 2019/10/27/entrez PY - 2019/10/28/pubmed PY - 2020/4/9/medline KW - Centaurium erythraea KW - HMG-CoA reductase KW - acetylcholinesterase KW - docking studies KW - gentiopicroside KW - xanthones JF - Molecules (Basel, Switzerland) JO - Molecules VL - 24 IS - 20 N2 - Centaurium erythraea is recommended for the treatment of gastrointestinal disorders and to reduce hypercholesterolemia in ethno-medicinal practice. To perform a top-down study that could give some insight into the molecular basis of these bioactivities, decoctions from C. erythraea leaves were prepared and the compounds were identified by liquid chromatography-high resolution tandem mass spectrometry (LC-MS/MS). Secoiridoids glycosides, like gentiopicroside and sweroside, and several xanthones, such as di-hydroxy-dimethoxyxanthone, were identified. Following some of the bioactivities previously ascribed to C. erythraea, we have studied its antioxidant capacity and the ability to inhibit acetylcholinesterase (AChE) and 3-hydroxy-3-methylglutaryl coenzyme A reductase (HMGR). Significant antioxidant activities were observed, following three assays: free radical 2,2-diphenyl-1-picrylhydrazyl (DPPH) reduction; lipoperoxidation; and NO radical scavenging capacity. The AChE and HMGR inhibitory activities for the decoction were also measured (56% at 500 μg/mL and 48% at 10 μg/mL, respectively). Molecular docking studies indicated that xanthones are better AChE inhibitors than gentiopicroside, while this compound exhibits a better shape complementarity with the HMGR active site than xanthones. To the extent of our knowledge, this is the first report on AChE and HMGR activities by C. erythraea decoctions, in a top-down analysis, complemented with in silico molecular docking, which aims to understand, at the molecular level, some of the biological effects ascribed to infusions from this plant. SN - 1420-3049 UR - https://www.unboundmedicine.com/medline/citation/31652501/Bioactivities_of_Centaurium_erythraea__Gentianaceae__Decoctions:_Antioxidant_Activity_Enzyme_Inhibition_and_Docking_Studies_ L2 - https://www.mdpi.com/resolver?pii=molecules24203795 DB - PRIME DP - Unbound Medicine ER -