title: Combining in vitro, in vivo and in silico approaches to evaluate nutraceutical potentials and chemical fingerprints of Moltkia aurea and Moltkia coerulea.
abstract: Methanolic extracts of Moltkia aurea Boiss. (MA) and Moltkia coerulea (Willd.) Lehm. (MC) were investigated for their antioxidant capacity and enzymatic inhibitory potential against acetylcholinesterase, butyrylcholinesterase, α-amylase, α-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.
authors.affiliation: Department of Biology, Faculty of Science, Selcuk University, Campus, Konya, Turkey.
authors.forename: Gokhan
authors.initials: G
authors.lastname: Zengin
authors.affiliation: Department of Biology, Faculty of Science, Selcuk University, Campus, Konya, Turkey. Electronic address: biyoram7@gmail.com.
authors.forename: Ramazan
authors.initials: R
authors.lastname: Ceylan
authors.affiliation: Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovića 12, Kragujevac, Serbia.
authors.forename: Jelena
authors.initials: J
authors.lastname: Katanić
authors.affiliation: Department of Pharmacy, University "G. d'Annunzio" Chieti-Pescara, 66100 Chieti, Italy.
authors.forename: Adriano
authors.initials: A
authors.lastname: Mollica
authors.affiliation: Department of Biology, Faculty of Science, Selcuk University, Campus, Konya, Turkey.
authors.forename: Abdurrahman
authors.initials: A
authors.lastname: Aktumsek
authors.affiliation: Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovića 12, Kragujevac, Serbia.
authors.forename: Tatjana
authors.initials: T
authors.lastname: Boroja
authors.affiliation: Department of Biology and Ecology, Faculty of Science, University of Kragujevac, Radoja Domanovića 12, Kragujevac, Serbia.
authors.forename: Sanja
authors.initials: S
authors.lastname: Matić
authors.affiliation: Department of Chemistry, Faculty of Science, University of Kragujevac, Radoja Domanovića 12, Kragujevac, Serbia.
authors.forename: Vladimir
authors.initials: V
authors.lastname: Mihailović
authors.affiliation: Department of Biology and Ecology, Faculty of Science, University of Kragujevac, Radoja Domanovića 12, Kragujevac, Serbia.
authors.forename: Snežana
authors.initials: S
authors.lastname: Stanić
authors.affiliation: Department of Health Sciences, Faculty of Science, University of Mauritius, Réduit, Mauritius.
authors.forename: Zaahira
authors.initials: Z
authors.lastname: Aumeeruddy-Elalfi
authors.affiliation: Research and Application of Science and Technology Center (DUBTAM), University of Dicle, Diyarbakır, Turkey.
authors.forename: Mustafa Abdullah
authors.initials: MA
authors.lastname: Yilmaz
authors.affiliation: Department of Health Sciences, Faculty of Science, University of Mauritius, Réduit, Mauritius.
authors.forename: Mohamad Fawzi
authors.initials: MF
authors.lastname: Mahomoodally
mesh_terms: D000818:Animals; D000975:Antioxidants / Q000737:chemistry / Q000494:pharmacology; D028082:Boraginaceae / Q000737:chemistry*; D019587:Dietary Supplements / Q000032:analysis*; D004331:Drosophila melanogaster / Q000187:drug effects / Q000235:genetics; D064209:Phytochemicals / Q000737:chemistry / Q000494:pharmacology; D010936:Plant Extracts / Q000737:chemistry* / Q000494:pharmacology; D053719:Tandem Mass Spectrometry
chemical_list: D000975:Antioxidants; D064209:Phytochemicals; D010936:Plant Extracts
keywords: Anti-tyrosinase; Antigenotoxic; Antimicrobial; Antioxidant; Molecular docking; Natural products