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Phytochemical characterization, in vitro and in silico approaches for three Hypericum species


Members of Hypericum genus are spread throughout the world and have a long history of use in traditional systems of medicines. In this present investigation, the methanolic extracts of aerial parts of three Hypericum species (H. olympicum (HO), H. pruinatum (HP), and H. scabrum (HS)) growing in Turkey were investigated for key enzyme inhibitory potentials. The chemical profiles were evaluated by HPLC-ESI-MSn, as well as their total phenolic and flavonoid contents established. Also, relevant bioactive compounds observed in the extracts were subjected to molecular docking experiments to provide insights about their interaction with the tested enzymes. HPLC-ESI-MSn analysis revealed that the extract of HO, followed by HS extract, has the highest total phenolic content (38 ± 1.0 mg g-1 DE), with flavonoids as major components. The extracts showed remarkable enzyme inhibitory effects against cholinesterases (AChE and BChE - 0.56–2.03 mgGALAE/g extract), tyrosinase, and α- glucosidase. Only HO (61.32±3.27 mgQE/g) and HP (39.88±2.51 mgQE/g) extracts showed notable inhibitory potency against lipase, while all the tested extracts exhibited modest activity against α-amylase. The phytochemicals with the most favourable interaction in the enzymatic cavity of α-glucosidase were found to be equal for hyperoside, myricetin, and neo-chlorogenic acid, each with a docking score of -7.7. By these results, the three Hypericum species can be classified as potent sources of biologically active secondary metabolites, which warrants further investigations as novel medicinal products.

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Publication details

The article was received on 20 Jan 2018, accepted on 05 Feb 2018 and first published on 06 Feb 2018

Article type: Paper
DOI: 10.1039/C8NJ00347E
Citation: New J. Chem., 2018, Accepted Manuscript
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    Phytochemical characterization, in vitro and in silico approaches for three Hypericum species

    E. Llorent-Martínez, G. Zengin, D. Lobine, L. Molina-García, A. Mollica and F. Mahomoodally, New J. Chem., 2018, Accepted Manuscript , DOI: 10.1039/C8NJ00347E

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