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    Chemical profile, antioxidant, and enzyme inhibitory properties of two Scutellaria species: S-orientalis L. and S-salviifolia Benth
    (WILEY, 2019) Zengin, Gökhan; Llorent-Martinez, Eulogio J.; Molina-Garcia, Lucia; Fernandez-de Cordova, Maria Luisa; Aktümsek, Abdurrahman; Uysal, Şengül; Rengasamy, Kannan R. R.; Aumeeruddy, Muhammad Zakariyyah; Bahadori, Mir Babak; Mahomoodally, Mohamad Fawzi
    Objectives This study investigates into the biological effects of solvent extracts (ethyl acetate, methanol, and water) of Scutellaria orientalis L. and Scutellaria salviifolia Benth. based on its enzyme inhibitory activity and antioxidant ability together with the screening of bioactive compounds. Methods Total and individual bioactive components were determined using spectrophotometric and HPLC-ESI-MS methods. Six antioxidant assays were conducted and enzyme inhibition was tested against key enzymes linked to the pathology of common chronic disorders. Key findings Results revealed that the aqueous extracts of both plants exerted better 2,2 '-azino-bis(3-ethylbenzothiazoline)-6-sulfonic acid scavenging, reducing power, metal chelating, and alpha-glucosidase inhibitory activities. The methanol extracts showed highest tyrosinase inhibition and antioxidant activity in phosphomolybdenum assay while the less polar ethyl acetate extracts showed better acetylcholinesterase, butyrylcholinesterase, and alpha-amylase inhibition. Phytochemical evaluation by HPLC-ESI-MS revealed the presence of high amounts of flavones. Conclusions Scutellaria orientalis and S. salviifolia are important sources of bioactive agents that warrants further studies.
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    Integration of in vitro and in silico perspectives to explain chemical characterization, biological potential and anticancer effects of Hypericum salsugineum: A pharmacologically active source for functional drug formulations
    (PUBLIC LIBRARY SCIENCE, 2018) Bender, Onur; Llorent-Martinez, Eulogio J.; Zengin, Gökhan; Mollica, Adriano; Ceylan, Ramazan; Molina-Garcia, Lucia; Fernandez-de Cordova, Maria Luisa; Atalay, Arzu
    The genus Hypericum is one of the most popular genera in both traditional medicine and scientific platform. This study is designed to provide conceptual insights on the biological potential and chemical characterization of H. salsugineum, which is endemic to Turkey. The qualitative and quantitative phenolic content of the extracts was characterized by HPLC-ESI-MSn. Biological efficiency was investigated by enzyme inhibitory assays (cholinesterases, tyrosinase, amylase, and glucosidase) and anti-cancer efficacy tests (anti-proliferative activities with the iCELLigence technology, colony formation and wound healing scratch assays). Phenolic acids (3-O-caffeoylquinic, 5-O-caffeoylquinic, and 4-O-caffeoylquinic acids) were the predominant group in the studied extracts, although several flavonoids were also detected and quantified. The extracts exhibited good inhibitory effects on tyrosinase and glucosidase, while they had weak ability against cholinesterases and amylase. Computational studies were also performed to explain the interactions between the major phenolics and these enzymes. The extracts displayed significant anti-cancer effects on breast carcinoma cell lines. Our findings suggest that Hypericum salsugineum could be valued as a potential source of biologically-active compounds for designing novel products.
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    Phytochemical characterization, in vitro and in silico approaches for three Hypericum species
    (ROYAL SOC CHEMISTRY, 2018) Llorent-Martinez, Eulogio J.; Zengin, Gökhan; Lobine, Devina; Molina-Garcia, Lucia; Mollica, Adriano; Mahomoodally, Mohamad Fawzi
    Members of the 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 their key enzyme inhibitory potential. The chemical profiles were evaluated using HPLC-ESI-MSn, and their total phenolic and flavonoid contents were established. Also, relevant bioactive compounds observed in the extracts were subjected to molecular docking experiments to provide insights into their interactions with the tested enzymes. HPLC-ESI-MSn analysis revealed that the extract of HO, followed by the 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 per g extract), tyrosinase, and alpha-glucosidase. Only HO (61.32 +/- 3.27 mgQE per g) and HP (39.88 +/- 2.51 mgQE per g) extracts showed notable inhibitory potency against lipase, while all the tested extracts exhibited modest activity against alpha-amylase. The phytochemicals with the most favourable interactions in the enzymatic cavity of alpha-glucosidase were found to be hyperoside, myricetin, and neo-chlorogenic acid, each with a docking score of -7.7. From these results, the three Hypericum species can be classified as potent sources of biologically active secondary metabolites, which warrant further investigations as novel medicinal products.