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Anti-diabetic and anti-hyperlipidemic properties of Capparis spinosa L.: In vivo and in vitro evaluation of its nutraceutical potential
(ELSEVIER SCIENCE BV, 2017) Mollica, Adriano; Zengin, Gökhan; Locatelli, Marcello; Stefanucci, Azzurra; Mocan, Andrei; Macedonio, Giorgia; Carradori, Simone
In this study, the nutraceutical potential of Capparis spinosa L for the treatment of hyperglycemic states has been thoroughly investigated. A series of in vivo and in vitro tests have been conducted on fresh leaf, buds and salty buds (24 h desalted) processed to dry powder. 60% MeOH/H2O extracts were obtained for HPLC analysis and for alpha-amylase and alpha-glucosidase inhibition tests. To estimate the in vivo anti-diabetic effect, dry powders of C spinosa leaf and buds were orally administered to streptozocin-induced diabetic rats over a period of 28 days. At the end of the experiment, animals were sacrificed, blood taken for assessment of lipid profile and liver/kidney biochemistry while section of the pancreas, liver and kidneys were processed for general histology. Results showed that the regular administration of C. spinosa leaf or buds normalized all the biochemical parameters and reversed the liver/kidney injury with variable degrees of organ protection. (C) 2017 Elsevier Ltd. All rights reserved.
Anti-oxidant and tyrosinase inhibitory in vitro activity of amino acids and small peptides: new hints for the multifaceted treatment of neurologic and metabolic disfunctions
(MDPI, 2019) Luisi, Grazia; Stefanucci, Azzurra; Zengin, Gökhan; Dimmito, Marilisa Pia; Mollica, Adriano
Oxidative damage is among the factors associated with the onset of chronic pathologies, such as neurodegenerative and metabolic diseases. Several classes of anti-oxidant compounds have been suggested as having a protective role against cellular stressors, but, in this perspective, peptides' world represents a poorly explored source. In the present study, the free radical scavenging properties, the metal ion reducing power, and the metal chelating activity of a series of sulfurated amino acids and tripeptides were determined in vitro through canonical assays (DPPH, ABTS, CUPRAC, FRAP, PM, and EECC) and estimated in comparison with the corresponding activities of synthetic peptide semicarbazones, incorporating the peculiar non-proteinogenic amino acid, tert-leucine (tLeu). The compounds exhibited remarkable anti-oxidant properties. As expected, sulfurated compounds 1-5 were found to be the most efficient radical scavengers and strongest reductants. Nevertheless, tLeu-containing peptides 7 and 8 disclosed notable metal reducing and chelating activities. These unprecedented results indicate that tLeu-featuring di- and tripeptide backbones, bearing the semicarbazone chelating moiety, are compatible with the emergence of an anti-oxidant potential. Additionally, when tested against a panel of enzymes usually targeted for therapeutic purposes in neurodegenerative and metabolic disorders, all samples were found to be good inhibitors of tyrosinase.
An assessment of the nutraceutical potential of Juglans regia L.leaf powder in diabetic rats
(PERGAMON-ELSEVIER SCIENCE LTD, 2017) Mollica, Adriano; Zengin, Gökhan; Locatelli, Marcello; Stefariucci, Azzurra; Macedonio, Giorgia; Bellagamba, Giuseppe; Onaolapo, Olakunle
In this study, we evaluated the nutraceutical potential of juglans regia L (a dietary supplement and food additive) by evaluating the in-vitro anti-diabetic potential and by assessing the in-vivo anti hyperglycaemic, anti-hyperlipidaemic, and organ-protective effects of freshly-dried and powdered leaves of J. regia L in diabetic rats. In the in-vivo experiments, dry powder of J. regia L leaf (25, 50 and 100 mg/kg) was administered orally, twice daily (9.00 a.m. and 5 p.m.) to streptozocin-induced diabetic rats over a period of 28 days, during which body weight and blood glucose were monitored weekly. At the end of the experimental period, animals were sacrificed, blood was taken for assessment of lipid profile, antioxidant activity and liver/kidney biochemistry; while samples of the pancreas, liver and kidneys were fixed, processed, sectioned, and stained for general histology. Phytochemical evaluations of three extracts were carried out using HPLC-PDA validated procedures, while enzyme-inhibitory potentials were tested against alpha-amylase and alpha-glucosidase. In-vivo assays showed that twice-daily administration of J. regia L leaf resulted in weight gain, glycaemic control, reversal of dyslipidaemia and biochemical evidences of liver/kidney injury, and protection against pancreas, liver and kidney tissue injury. (C) 2017 Elsevier Ltd. All rights reserved.
Bioactivities of Achillea phrygia and Bupleurum croceum based on the composition of phenolic compounds: In vitro and in silico approaches
(PERGAMON-ELSEVIER SCIENCE LTD, 2017) Zengin, Gökhan; Bulut, Gizem; Mollica, Adriano; Haznedaroğlu, Mehmet Zeki; Doğan, Ahmet; Aktümsek, Abdurrahman
This study presents the effects of the Achillea phrygia Boiss. et Bal. and Bupleurum croceum Fenzl. extracts obtained by different solvents (ethyl acetate, methanol and water) on selected enzyme inhibitory effects and antioxidant ability with screening bioactive compounds. Total and individual bioactive compounds were detected by spectrophotometric and HPLC-DAD techniques. Antioxidant abilities were evaluated by different methods including free radical scavenging (ABTS and DPPH), reducing power (CUPRAC and FRAP), phosphomolybdenum and metal chelating. Enzyme inhibitory effects were tested against cholinesterases, tyrosinase, amylase, glucosidase and lipase. Total phenolic contents were ranged from 20.52 mgGAE/g extract (B. croceum methanol extract) to 41.13 mgGAE/g extract (A. phrygia methanol extract). Generally, methanol and water extracts showed the strongest antioxidant abilities, while the ethyl acetate extracts had the most promising enzyme inhibitory effects. HPLC analysis revealed the abundance of some phenolics including rutin, quercetin, sinapic acid and chlorogenic acid, respectively. These components were also assessed using molecular modelling with the aim to study their docking properties on a set of six enzymes used in this study. Overall, these species could be suggested as valuable sources of natural-bioactive agents for developing new functional, pharmacological and health promoting ingredients. (C) 2017 Elsevier Ltd. All rights reserved.
Biological and chemical insights of Morina persica L.: A source of bioactive compounds with multifunctional properties
(ELSEVIER, 2016) Mocan, Andrei; Zengin, Gökhan; Uysal, Ahmet; Güneş, Erdoğan; Mollica, Adriano; Değirmenci, Nurdan Sena; Alpsoy, Lokman
Morina persica L. has weak rosy smell flowers that together with aerial parts are infused or decocted and used as a functional tea. It is a representative of the Anatolian traditional medicine and is used for the treatment of cold. Biological and chemical fingerprints of different extracts (methanolic, acetone and water) of M. persica were investigated. Antioxidant, enzyme inhibitory, antimicrobial, cytotoxic and mutagenic/antimutagenic effects were evaluated for biological profiling. Rutin, chlorogenic and rosmarinic acids were detected as dominant compounds. Generally, the methanolic and acetone extracts had strong antioxidant, enzyme inhibitory, antimicrobial and antimutagenic effects. Additionally, all extracts showed remarkable inhibitory effects on HeLa cells at 100 mu g/mL. Furthermore, possible interactions between rutin, the dominant phenolic compound in M. persica and the tested enzymes were assessed by molecular docking. Results indicate that M. persica could be considered as a natural source of high-valued functional ingredients for further use in healthful formulations. (C) 2016 Elsevier Ltd. All rights reserved.
Biological, chemical and in silico fingerprints of Dianthus calocephalus Boiss.: A novel source for rutin
(PERGAMON-ELSEVIER SCIENCE LTD, 2018) Uysal, Şengül; Aktümsek, Abdurrahman; Picot-Allain, Carene M. N.; Ünüvar, Hamiyet; Mollica, Adriano; Georgiev, Milen I.; Zengin, Gökhan
Extracts (methanol, ethyl acetate, and water) from Dianthus calocephalus Boiss. prepared by different extraction techniques (maceration, Soxhlet, and ultrasonication) were studied for possible inhibitory action against key enzymes (alpha-amylase, alpha-glucosidase, acetyl cholinesterase, butyryl cholinesterase, and tyrosinase). Antioxidant potential was established using a battery of assays and phenolic compounds profiled by RP-HPLC. Binding pose of tyrosinase with rutin was studied by means of molecular docking. Methanol extracts showed the highest phenolic (39.35-40.25 mgGAE/g) content and rich in rutin (61.38-72.07 mg/g extract). Ethyl acetate extracts of D. calocephalus were potent inhibitors of acetyl (1.45-1.48 mgGALAE/g) and butyryl (2.44-2.74 mgGALAE/g) cholinesterases. Docking studies showed that rutin interacts with the side chains of the key amino acid residues and to the copper atom found at the active site of tyrosinase. Methanol extracts showed highest antioxidant capacity. D. calocephalus showed interesting biological properties that could be further studied to manage diabetes, neurodegenerative diseases, Alzheimer's disease, and hyperpigmentation.
Chemical and biological insights on Cotoneaster integerrimus: A new (-)- epicatechin source for food and medicinal applications
(ELSEVIER GMBH, URBAN & FISCHER VERLAG, 2016) Uysal, Ahmet; Zengin, Gökhan; Mollica, Adriano; Güneş, Erdoğan; Locatelli, Marcello; Yılmaz, Turgut; Aktümsek, Abdurrahman
Background: The Cotoneaster species are widely used as traditional purposes in different countries including Turkey. Purpose: The study was performed to evaluate the biological and chemical profile of two extracts (methanol (T-Me; F-Me) and water (T-W; F-W)) from two parts (twigs and fruits) of Cotoneaster integerrimus. Materials and methods: Antioxidant (free radical scavenging (DPPH), reducing power (CUPRAC and FRAP), phosphomolybdenum and metal chelating), enzyme inhibitory (cholinesterase, tyrosinase, alpha-amylase and alpha-glucosidase), antimicrobial (standard microorganisms and methicillin-resistant Staphylococcus aureus isolates (MRSA)) and mutagenic/antimutagenic effects (by Ames assay) were tested for biological profile. For chemical profile, total and individual phenolic components were detected for each extract. Results: Generally, T-Me reflected the strongest biological effects with the highest level of phenolics (115. 15 mgGAEs/g extract). Also, twig extracts had more potent biological effects as compared to flower extracts. Eight-teen phenolics were identified in the extracts. (-)- epicatechin was the major constituent in all extracts and is mainly responsible for biological activities observed. Its amount present in F-W and T-W were 9.27 and 32.89 mg/g extract, respectively. Also, molecular docking was used to understand enzyme-epicatechin interactions. Conclusion: From these results, this plant has a great potential as a health promoter for developing novel functional food ingredients and pharmaceutical preparations. (C) 2016 Elsevier GmbH. All rights reserved.
Chemical profile, antiproliferative, antioxidant, and enzyme inhibition activities and docking studies of Cymbopogon schoenanthus (L.) Spreng. and Cymbopogon nervatus (Hochst.) Chiov. from Sudan
(WILEY, 2020) Yagi, Sakina; Mohammed, Atif B. A.; Tzanova, Tzvetomira; Schohn, Herve; Abdelgadir, Haider; Stefanucci, Azzurra; Mollica, Adriano; Zengin, Gökhan
Essential oils from the inflorescence of Cymbopogon schoenanthus and C. nervatus growing in Northern Sudan were examined for their chemical composition, antiproliferative activity against human breast carcinoma and human colon adenocarcinoma cell lines, antioxidant activity (phosphomolybdenum, antiradical, reducing power, and ferrous chelating), and enzyme inhibition activity against acetylcholinesterase butyrylcholinesterase, tyrosinase, alpha-glucosidase, and alpha-amylase. In silico study on the inhibition of tyrosinase and alpha-amylase was also performed. Piperitone (59.1%) and isomers of para-menthadienols (35.3%) were the main compounds in C. schoenanthus and C. nervatus oils, respectively. Oil from C. nervatus possessed higher antioxidant activity than that from C. schoenanthus except for its metal chelating ability. Both oils showed high antiproliferative activity. In silico study showed that trans-p-mentha-2,8-dien-1-ol and piperitone (both isomers) revealed the best docking scores for alpha-amylase and tyrosinase, respectively. In conclusion, oils from these two Cymbopogon species could be new natural agents with functional properties for food, cosmetics, and pharmaceutical industries. Practical applications Recently, there is a growing tendency to replace synthetic oils by natural ones in the cosmetic, food, and pharmaceutical products. In this context, we investigated the chemical characterization and biological activities of two Cymbopogon species essential oils (C. schoenanthus (L.) Spreng. and C. nervatus). Antioxidant capacity, enzyme inhibition, and antiproliferative effects were tested for biological activities. Chemical characterization was identified by GC-MS. Based on our findings, the Cymbopogon species may be utilized as sources of natural bioactive agents in food industries.
Combinatorial peptide library screening for discovery of diverse alpha-glucosidase inhibitors using molecular dynamics simulations and binary QSAR models
(TAYLOR & FRANCIS INC, 2019) Mollica, Adriano; Zengin, Gökhan; Durdağı, Serdar; Salmas, Ramin Ekhteiari; Macedonio, Giorgia; Stefanucci, Azzurra; Dimmito, Marilisa Pia; Novellino, Ettore
Human alpha-glucosidase is an enzyme involved in the catalytic cleavage of the glucoside bond and involved in numerous functionalities of the organism, as well as in the insurgence of diabetes mellitus 2 and obesity. Thus, developing chemicals that inhibit this enzyme is a promising approach for the treatment of several pathologies. Small peptides such as di- and tri-peptides may be in natural organism as well as in the GI tract in high concentration, coming from the digestive process of meat, wheat and milk proteins. In this work, we reported the first tentative hierarchical structure-based virtual screening of peptides for human alpha-glucosidase. The goal of this work is to discover novel and diverse lead compounds that my act as inhibitors of alpha-glucosidase such as small peptides by performing a computer aided virtual screening and to find novel scaffolds for further development. Thus, in order to select novel candidates with original structure we performed molecular dynamics (MD) simulations among the 12 top-ranked peptides taking as comparison the MD simulations performed on crystallographic inhibitor acarbose. The compounds with the lower RMSD variability during the MD, were reserved for in vitro biological assay. The selected 4 promising structures were prepared on solid phase peptide synthesis and used for the inhibitory assay, among them compound 2 showed good inhibitory activity, which validated our method as an original strategy to discover novel peptide inhibitors. Moreover, pharmacokinetic profile predictions of these 4 peptides were also carried out with binary QSAR models using MetaCore/MetaDrug applications.
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, Gökhan; Ceylan, Ramazan; Katanic, Jelena; Mollica, Adriano; Aktümsek, 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.
A comparative in vitro and in silico study of the biological potential and chemical fingerprints of Dorcycinum pentapyllum subsp haussknechtii using three extraction procedures
(ROYAL SOC CHEMISTRY, 2017) Uysal, Şengül; Aktümsek, Abdurrahman; Picot, Carene M. N.; Sahan, Alime; Mollica, Adriano; Zengin, Gökhan; Mahomoodally, Mohamad Fawzi
We probed into the effect of different extraction procedures (maceration, Soxhlet extraction, and ultrasonication) on the phytochemical profiles and bioactivities of ethyl acetate, methanol, and water extracts of Dorcycinum pentapyllum subsp. haussknechtii. The antioxidant (ABTS and DPPH), reducing power (CUPRAC and FRAP), phosphomolybdenum, metal chelation, and enzyme inhibitory activities (acetylcholinesterase (AChE), butyrylcholinesterase (BChE), tyrosinase, a-amylase, and a-glucosidase) were determined. The total phenolic and flavonoid contents together with the phenolic compounds were evaluated by RP-HPLC. Molecular modeling calculations were applied to relevant bioactive compounds observed in the extracts and docked to targeted enzymes used in order to elucidate their docking characteristics and possible interactions. The type of extraction technique was found to affect the concentration of phytochemicals (maceration, Soxhlet extraction, and ultrasonication gave 3052, 3616, and 3252 mg g(-1) extract, respectively). The highest values of the total phenolic content and antioxidant activities followed the same order, highlighting a possible relationship between strong antioxidant action and high phytochemical content. Ethyl acetate extracts were potent inhibitors of a-amylase while methanol extracts showed pronounced activity against a-glucosidase. Methanol extracts of D. pentapyllum were potent inhibitors of AChE. BChE was inhibited by water extracts. The best docking pose and DG binding energy calculations revealed that quercetin had a preference for a-amylase and AChE, whereas rutin was capable of docking efficaciously to BChE, a-glucosidase, and tyrosinase. Evidence from the present study advocates the need for exploring different extraction techniques in an endeavour to discover unique bioactive lead compounds that could target specific ailments.
Discovery of novel µ-opioid receptor inverse agonist from a combinatorial library of tetrapeptides through structure-based virtual screening
(MDPI, 2019) Poli, Giulio; Dimmito, Marilisa Pia; Mollica, Adriano; Zengin, Gökhan; Benyhe, Sandor; Zador, Ferenc; Stefanucci, Azzurra
Morphine, oxycodone, fentanyl, and other mu-opioid receptors (MOR) agonists have been used for decades in antinociceptive therapies. However, these drugs are associated with numerous side effects, such as euphoria, addiction, respiratory depression, and adverse gastrointestinal reactions, thus, circumventing these drawbacks is of extensive importance. With the aim of identifying novel peptide ligands endowed with MOR inhibitory activity, we developed a virtual screening protocol, including receptor-based pharmacophore screening, docking studies, and molecular dynamics simulations, which was used to filter an in-house built virtual library of tetrapeptide ligands. The three top-scored compounds were synthesized and subjected to biological evaluation, revealing the identity of a hit compound (peptide 1) endowed with appreciable MOR inverse agonist effect and selectivity over delta-opioid receptors. These results confirmed the reliability of our computational approach and provided a promising starting point for the development of new potent MOR modulators.
Discovery of orexant and anorexant agents with indazole scaffold endowed with peripheral antiedema activity
(MDPI, 2019) Dimmito, Marilisa P.; Stefanucci, Azzurra; Pieretti, Stefano; Minosi, Paola; Dvoracsko, Szabolcs; Tomboly, Csaba; Zengin, Gökhan; Mollica, Adriano
The endocannabinoid system represents an integrated neuronal network involved in the control of several organisms' functions, such as feeding behavior. A series of hybrids of 5-(4-chlorophenyl)-1-(2,4-dichloro-phenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide (mimonabant), a well-known inverse agonist of the type-1 cannabinoid receptor (CB1), once used as an antiobesity drug, and the N-(2S)-substitutes of 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide with 1-amino-3-methyl-1-oxobutane (AB-Fubinaca), 1-amino-3,3-dimethyl-1-oxobutane (ADB-Fubinaca), and 3-methylbutanoate (AMB-Fubinaca), endowed with potent agonistic activity towards cannabinoid receptors CB1 and CB2 were in solution as C-terminal amides, acids, methyl esters and N-methyl amides. These compounds have been studied by binding assays to cannabinoid receptors and by functional receptor assays, using rat brain membranes in vitro. The most active among them as an agonist, (S)-1-(2,4-dichlorobenzyl)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)-1H-indazole-3-carboxamide (LONI11), and an antagonist, (S)-2-(1-(2,4-dichlorobenzyl)-1H-indazole-3-carboxamido)-3-methylbutanoic acid (LONI4), were tested in vivo in mic, to evaluate their ability to stimulate or suppress feeding behavior after intraperitoneal (i.p.) administration. For a LONI11 formalin test and a tail flick test after an administration by the subcutaneous (s.c.) and intracerebroventricular (i.c.v.) routes, respectively, were also carried out in vivo in mice to investigate the antinociceptive property at the central and peripheral levesl. We observed a significant orexant effect for LONI11 and an intense anorexant effect for (S)-methyl 2-(1-(2,4-dichlorobenzyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate (LONI2) and LONI4. In zymosan-induced edema and hyperalgesia, LONI11 reduced the percent of paw volume increase and paw latency after s.c. administration, also suggesting a possible peripheral anti-inflammatory activity.
Enzymatic assays and molecular modeling studies of Schisandra chinensis lignans and phenolics from fruit and leaf extracts
(TAYLOR & FRANCIS LTD, 2016) Mocan, Andrei; Zengin, Gökhan; Crisan, Gianina; Mollica, Adriano
Considerable interest has been shown in natural sources and their compounds in developing new therapeutically agents for different diseases. In this framework, investigations performed on this topic play a central role for human health and drug development process. Schisandra chinensis (Turcz.) Baill is a medicinal and edible plant showing highly advantageous bioactivity and nutritional value. The main bioactive compounds from its fruits are lignans, derivatives of dibenzocyclooctadiene whereas concerning its leaves, phenolic acids, and flavonoids are dominant. The purpose of this study was to investigate the enzyme inhibitory potential on selected carbohydrate hydrolases, cholinesterases, and tyrosinase of extracts from fruits and leaves of Schisandra in relation with their main bioactive compounds. Furthermore, the interactions between dominant compounds (schisandrol A, schisandrol B, schisandrin B, and cinnamic acid) from extracts and selected enzymes were investigated by molecular modeling and molecular dynamic studies in order to explain at a molecular level our findings.
Euphorbia denticulata Lam.: A promising source of phyto-pharmaceuticals for the development of novel functional formulations
(ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER, 2017) Zengin, Gökhan; Uysal, Ahmet; Aktümsek, Abdurrahman; Mocan, Andrei; Mollica, Adriano; Locatelli, Marcello; Custodio, Luisa
In this study, Methanolic extracts of Euphorbia denticulata parts (flowers, leaf, stem, and mix of aerial parts) were assessed for a panoply of bioactivities. Inhibitory potential against key enzymes involved in diabetes (alpha-glucosidase and alpha-amylase), obesity (pancreatic lipase), neurodegenerative diseases (cholinesterases), and hyperpigmentation (tyrosinase) was evaluated. The antioxidant and antibacterial properties were also assessed. The total phenolic, flavonoid, and phytochemical profile were established using HPLC/DAD and molecular modelling studies on specific target compounds were performed in silico. The flower extract was found to be rich in phenolics and flavonoids, (60.11 +/- 1.40 mgGAE/g and 42.04 +/- 0.16 mgRE/g respectively), which tend to correlate with the high radical scavenging activity of this extract (120.34 +/- 3.33 mgTE/g and 165.42 +/- 2.16 mgTE/g for DPPH and ABTS respectively). Catechin, epicatechin, gallic acid, p-OH-Benzoic acid, rosmarinic acid, and epigallocatechin gallate, found in significant abundance in the extracts were assessed using molecular modelling with the aim to study their docking properties on a set of six enzymes used in this study. The extracts were moderately effective with MIC values ranging between 1.56 to 6.25 mg/ml, but potent growth inhibitors of MRSA strains. Results amassed herein can be used as a stimulus for further studies geared towards the development of novel phyto-pharmaceuticals. (C) 2016 Elsevier Masson SAS. All rights reserved.
Exogenous opioid peptides derived from food proteins and their possible uses as dietary supplements: A critical review
(TAYLOR & FRANCIS INC, 2018) Stefanucci, Azzurra; Mollica, Adriano; Macedonio, Giorgia; Zengin, Gökhan; Ahmed, Abdelkareem A.; Novellino, Ettore
Endogenous opioid peptides are neuro-hormones and neurotransmitters involved in several physiological actions such as stress reactions, nociception control, sedation, breathing tone, depression, hypotension, appetite, digestion, etc. It is now clear that hydrolysis by the digestion of certain food-proteins can lead to the production of bioactive peptides. Commonly diffused foods like milk, wheat, meat, and spinach may produce after enzymatic digestion a variable amount of opioid peptides. The aim of this review is to provide arising perspectives on opioid peptides, focusing on their production from milk, their potential benefits, drawbacks, and safety issues related to infants' feeding.
Exploring the halophyte Cistanche phelypaea (L.) Cout as a source of health promoting products: In vitro antioxidant and enzyme inhibitory properties, metabolomic profile and computational studies
(ELSEVIER, 2019) Trampetti, Francesca; Pereira, Catarina; Rodrigues, Maria Joao; Celaj, Odeta; D'Abrosca, Brigida; Zengin, Gökhan; Mollica, Adriano; Stefanucci, Azzurra; Custodio, Luisa
In this study, ethyl acetate, acetone, ethanol and water extracts from flowers, stems and roots of Cistanche phelypaea (L.) Cout were appraised for radical scavenging activity (RSA) towards 1,1-diphenyl-2-picrylhydrazyl,2,2-azino-bis(3-ethylbenzo-thiazoline-6-sulfonic acid) and superoxide free radicals, and for metal chelating activities on iron and copper ions. The water extracts had the highest antioxidant activity, especially those from roots and flowers, and were further appraised for in vitro inhibition of enzymes implicated on the onset of human ailments, namely acetyl- (AChE) and butyrylcholinesterase (BuChE) for Alzheimer's disease, alpha-glucosidase and alpha-amylase for diabetes, and tyrosinase for skin hyper-pigmentation disorders. The extracts had a higher activity towards BuChE, and the roots extract had the highest capacity to inhibit tyrosinase. Samples showed a low capacity to inhibit carbohydrate hydrolysing enzymes, except for the root extract with a good inhibition on glucosidase. Samples were then characterized by NMR (1D and 2D): the main metabolites identified in the flowers extract were iridoid glycosides, in particular gluroside and bartsioside. In stems, phenylehanoid glycosides (PhGs) and iri doids were detected, especially acteoside. In roots were detected essentially PhGs, mainly echinacoside and tubuloside A. Docking studies were performed on the identified compounds. A favorable binding energy of tubuloside A to tyrosinase was calculated, and indicated this compound as a possible competitive inhibitor of alpha-glucosidase and tyrosinase. Our results suggest that C. phelypeae is a promising source of biologically-active compounds with health promoting properties for pharmaceutical and biomedical applications. (C) 2018 Elsevier B.V. All rights reserved.
Functional constituents of wild and cultivated Goji (L-barbarum L.) leaves: phytochemical characterization, biological profile, and computational studies
(TAYLOR & FRANCIS LTD, 2017) Mocan, Andrei; Zengin, Gökhan; Simirgiotis, Mario; Schafberg, Michaela; Mollica, Adriano; Vodnar, Dan C.; Crisan, Gianina
Goji (Lycium barbarum L.) leaves are emphasized as a functional tea or as dietary supplements. The phenolic compound profile, antioxidant, enzyme inhibitory, antimicrobial, and antimutagenic activities of leaf extracts from two selected cultivars in comparison with wild-growing plants have been evaluated. HPLCDAD/ ESI-ToF-MS analysis revealed the presence of phenolic acids and flavonoids with chlorogenic acid and rutin being the dominant compounds in the cultivated plants, whereas rutin and kaempeferol-3-O-rutinoside for wild growing ones. In particular, cv. Erma contained the highest amount of chlorogenic acid and showed a strong tyrosinase-inhibitory effect. Staphylococcus aureus, Listeria monocytogenes, and Penicillium funiculosum were the most sensitive strains when exposed to extracts from cultivated plants. Antimutagenic activity was evaluated by Ames' test. The tested extracts provided high protection against mutagenicity induced by 2-anthramine (2-AA) to Salmonella typhimurium strains TA 98 and TA 100 (max. inhibition (%) 88% and 74.2%, respectively). Overall, Goji leaves are a rich source of bioactive compounds with functional properties that need further risk/benefit evaluation when used in foods or health-promoting formulations.
In vitro and in silico approaches to unveil the mechanisms underlying the cytotoxic effect of juncunol on human hepatocarcinoma cells
(POLISH ACAD SCIENCES INST PHARMACOLOGY, 2018) Rodrigues, Maria Joao; Vizetto-Duarte, Catarina; Gangadhar, Katkam N.; Zengin, Gökhan; Mollica, Adriano; Varela, Joao; Barreira, Luisa
Background: Juncunol is a phenanthrene isolated from the halophyte species Juncus acutus, with selective cytotoxic activity towards human hepatocarcinoma (HepG2) cells. However, its mechanism of action is unknown. Methods: The in vitro cytotoxic mechanism of juncunol was evaluated on HepG2 cells through several methods to elucidate its potential to induce apoptotic features, decrease mitochondrial membrane potential, promote internal ROS production and influence cell cycle. We also report its haemolytic activity on human erythrocytes and in silico DNA-binding studies. Results: Juncunol induced an increase in the number of apoptotic cells in a concentration-dependent manner, accompanied by a decrease in the mitochondrial membrane potential. Nosignificant differences were observed in production of reactive oxygen species (ROS). Moreover, juncunol application at the IC50 value significantly induced cell cycle arrest in the G0/G1 phase comparatively to the control group. No significant haemolysis was detected. In silico studies indicate that juncunol seems to bind between GC base pairs. Conclusion: Juncunol reduced HepG2 cells proliferation through the induction of apoptotic cellular death, in a concentration-dependent manner. Apoptosis induction seems to be related with a decrease of the mitochondrial membrane potential but not with ROS production. Juncunol had no haemolytic activity and may act as a DNA intercalator. Our data suggests juncunol as a suitable candidate for more detailed studies, including in vivo experiments, in order to completely characterize its mode of action. (c) 2018 Institute of Pharmacology, Polish Academy of Sciences. Published by Elsevier B.V. All rights reserved.
In vitro and in silico insights of Cupressus sempervirens, Artemisia absinthium and Lippia triphylla: Bridging traditional knowledge and scientific validation
(ELSEVIER SCIENCE INC, 2017) Zengin, Gökhan; Mollica, Adriano; Aktümsek, Abdurrahman; Picot, Carene Marie Nancy; Mahomoodally, Mohamad Fawzi
Introduction: The search for new therapeutic agents for the management of diabetes mellitus type 2 (DMT2) and neurodegenerative disorders coupled with the rising number of patients suffering from these pathologies have attracted much interest. Traditionally, extracts from medicinal plants have been used to manage a number of ailments and still remain a potent source of new therapeutic agents. Methods: Therefore, the present study was undertaken to evaluate the in vitro antioxidant and enzyme (acetyl cholinesterase (AChE), butyryl cholinesterase (BChE), tyrosinase, alpha-amylase, and alpha-glucosidase) inhibitory potential of three medicinal plants (Cupressus sempervirens, Artemisia absinthium, and Lippia triphylla). The phenolic composition of the ethanolic extracts was also characterized using reversed-phase high-performance liquid chromatography (RP-HPLC). In silico molecular docking was used to investigate the possible interaction between active compounds and the studied enzymes. Results: C. sempervirens showed the highest inhibition rates against AChE, BChE, alpha-amylase, and alpha-glucosidase (2.47 mg galantamine equivalents (GALAE)/g extract, 2.98 mg GALAE/g extract, 1.61 mmol acarbose equivalents (ACAE)/g extract, and 1.86 mmol ACAE/g extract for respective enzymes). The plant extracts showed antioxidant power in the following order C. sempervirens > L. triphylla > A. absinthium. Protocatechuic acid, (+)-catechin, apigenin, and chlorogenic acid were identified in all the plant extracts. The best docking pose obtained for each bioactive compound against the enzymes was mostly stabilized via hydrogen bonds and pi-pi stacks. Conclusion: This study provides insight into the antioxidant capacity and the inhibitory potential of these medicinal plants against key enzymes linked to DMT2 and neurodegenerative disorders.

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