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    Combining in vitro, in vivo and in silico approaches to evaluate nutraceutical potentials and chemical fingerprints of Moltkia aurea and Moltkia coerulea
    (Pergamon-Elsevier Science Ltd, 2017) Zengin, Gokhan; Ceylan, Ramazan; Katanic, Jelena; Mollica, Adriano; Aktumsek, Abdurrahman; Boroja, Tatjana; Matic, Sanja
    Methanolic extracts of Moltkia aurea Boiss. (MA) and Moltkia coerulea (Wild.) Lehm. (MC) were investigated for their antioxidant capacity and enzymatic inhibitory potential against acetylcholinesterase, butyrylcholinesterase, alpha-amylase, alpha-glucosidase, and tyrosinase in vitro. MA and MC were also explored for their antimicrobial effect, as well as for their possible genotoxic/antigenotoxic potential on Drosophila melanogaster in vivo. The total bioactive components (phenolic (TPC) and flavonoid contents (TFC)) were determined and liquid chromatography-tandem mass spectrometry (LC-MS/MS) metabolite profiling of MA and MC appraised. The plausible docking poses of bioactive compounds to key enzymes were further studied using molecular modelling approach. MA proved to be a better antioxidant with higher TPC and TFC compared to MC. Protocatechuic acid, rutin, hesperidin and malic acid were the most abundant in these extracts. Both MA and MC exhibited antigenotoxic potential with a %R in DNA damage of 60.90 and 53.14% respectively. The docking studies revealed that rutin, hesperidin, and rosmarinic acid have the best scores for all the enzymes tested. MA and MC were found to be rich in phytochemicals with potent antioxidant, antimicrobial, and antigenotoxic activities that can be further studied for the management of neurodegenerative complications, diabetes, and hyperpigmentation. (C) 2017 Elsevier Ltd. All rights reserved.
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    In vitro and in silico perspectives on biological and phytochemical profile of three halophyte species-A source of innovative phytopharmaceuticals from nature
    (Elsevier Gmbh, 2018) Zengin, Gokhan; Aumeeruddy-Elalfi, Zaahira; Mollica, Adriano; Yilmaz, Mustafa Abdullah; Mahomoodally, Mohamad Fawzi
    Background: Halophytes are considered as valuable sources of traditional drugs in different countries. Purpose: The present study aimed to evaluate biological and chemical fingerprints of three halophytes (Arthrocnemum macrostachyum (Moric.) C, Koch, Halimione portulacoides (L.) Aellen and Salicornia europaea L.). Materials and methods: The antioxidant and enzymatic inhibitory potential (acetylcholinesterase, butyrylcholinesterase, alpha-amylase, alpha-glucosidase, and tyrosinase) were assessed. The total phenolic, flavonoid contents, and the chemical profiles were appraised using the ultra-high performance liquid chromatography-electrospray ionization-tandem mass spectrometry. Molecular docking was conducted to provide additional insights of molecular interactions of the enzymes/phytochemicals. Results: Ethyl acetate extract was the most efficient extract, with A. macrostachyum being the most potent towards DPPH and ABTS radicals and phosphomolybdenum assay. Ethyl acetate extract of A. macrostachyum was also the best reducing agent (CUPRAC and FRAP assays). Methanol and ethyl acetate extract of A. macrostachyum, H. portulacoides, and S. europaea showed significant enzyme inhibition potential. Ethyl acetate extract of A. macrostachyum showed the highest total phenolic (29.54 +/- 0.78 mgGAEs/g extract) while the ethyl acetate extract of S. europaea was more abundant in flavonoids (18.26 +/- 0.11 mgREs/g extract). Phytochemical profiling allowed the identification of several components in the methanolic extracts (16 in A. macrostachyum, 14 in H. portulacoides, and 11 in S. europaea), with quinic acid, p-coumaric acid, and rhamnetin being most abundant. Docking studies revealed that the above compounds showed scores for the enzymes tested. Conclusion: The three halophytes studies could be considered as potential sources of biologically-active compounds for novel phytopharmaceuticals development.