Oil distillation wastewaters from aromatic herbs as new natural source of antioxidant compounds

Celano, Rita; Piccinelli, Anna Lisa; Pagano, Imma; Roscigno, Graziana; Campone, Luca; Falco, Enrica De; Russo, Mariateresa; Rastrelli, Luca

doi:10.1016/j.foodres.2017.05.036

Cited by 57 publications

(37 citation statements)

References 40 publications

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“…Among the remaining 73 compounds with a docking score comparable to that of the standard drug inhibitor, it is worth mentioning the active principles of popular herbs used in Ayurvedic traditional medicine and components of multi-ingredient food supplements formulations, i.e., fuscaxanthone A from Garcinia spp. (29, docking score: −12.35), orthosiphonone D (44, docking score: −12.00) from Java tea (Orthosiphon stamineus), 7-hydroxy-14-deoxywithanolide U (77, docking score: −11.12) from Withania somnifera, commonly known as ashwagandha, a plant of immense medicinal properties belonging to the family Solanaceae [41], and 6S,9R-roseoside (78, docking score: −11.12) from Ocimum basilicum and Ocimum sanctum [42].…”

Section: Resultsmentioning

confidence: 99%

“…Molecules 2020, 25, x 5 of 12 supplements formulations, i.e., fuscaxanthone A from Garcinia spp. (29, docking score: −12.35), orthosiphonone D (44, docking score: −12.00) from Java tea (Orthosiphon stamineus), 7-hydroxy-14deoxywithanolide U (77, docking score: −11.12) from Withania somnifera, commonly known as ashwagandha, a plant of immense medicinal properties belonging to the family Solanaceae [41], and 6S,9R-roseoside (78, docking score: −11.12) from Ocimum basilicum and Ocimum sanctum [42]. 158 170 182 194 206 218 230 242 254 266 278 290 302 314 326 338 350 362 374 386 398 410 422 434 446 458 470 482 RMSF Native_TMPRSS2 Mutated_TMPRSS2…”

Section: Resultsmentioning

confidence: 99%

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Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2)

et al. 2020

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Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has caused about 2 million infections and is responsible for more than 100,000 deaths worldwide. To date, there is no specific drug registered to combat the disease it causes, named coronavirus disease 2019 . In the current study, we used an in silico approach to screen natural compounds to find potent inhibitors of the host enzyme transmembrane protease serine 2 (TMPRSS2). This enzyme facilitates viral particle entry into host cells, and its inhibition blocks virus fusion with angiotensin-converting enzyme 2 (ACE2). This, in turn, restricts SARS-CoV-2 pathogenesis. A three-dimensional structure of TMPRSS2 was built using SWISS-MODEL and validated by RAMPAGE. The natural compounds library Natural Product Activity and Species Source (NPASS), containing 30,927 compounds, was screened against the target protein. Two techniques were used in the Molecular Operating Environment (MOE) for this purpose, i.e., a ligand-based pharmacophore approach and a molecular docking-based screening. In total, 2140 compounds with pharmacophoric features were retained using the first approach. Using the second approach, 85 compounds with molecular docking comparable to or greater than that of the standard inhibitor (camostat mesylate) were identified. The top 12 compounds with the most favorable structural features were studied for physicochemical and ADMET (absorption, distribution, metabolism, excretion, toxicity) properties. The low-molecular-weight compound NPC306344 showed significant interaction with the active site residues of TMPRSS2, with a binding energy score of −14.69. Further in vitro and in vivo validation is needed to study and develop an anti-COVID-19 drug based on the structures of the most promising compounds identified in this study.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2)

et al. 2020

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“…In our previous work, a separation methodology was developed for a complete characterization of the chemical profile of this kind of by‐product and it was reported the identification of 36 secondary metabolites, mainly CA derivatives and flavone glycosides . Before the PLE experiments, the basil DWW was lyophilized and submitted to chemical characterization, in order to know the composition of the starting material using the chromatographic conditions reported above.…”

Section: Resultsmentioning

confidence: 99%

“…HPLC‐DAD‐HRMS profiling revealed that DWWs contain many water‐soluble phenolic compounds, mainly caffeic acid derivatives and flavonoid glycosides, with rosmarinic acid (RA) as predominant component (29–135 mg 100 mL −1 ). A strong antioxidant activity of the extracts was demonstrated by three in vitro AOC methods and it was correlated to the high content of RA and other phenolic compounds .…”

Section: Introductionmentioning

confidence: 90%

“…During the extraction/separation processes, two undesirable products are generated: (i) residual plant material and (ii) distillation wastewaters (DWWs). In particular, this latter one is produced from relapse of condensation water on the vegetable matrix and it is usually discarded, although it is known that is rich in phenolic compounds and represents an unexplored by‐product . Zheljazkov and Astatkie have recently proposed the use of DWWs obtained from several aromatic plants as a foliar spray, in order to evaluate their bioactive effect on growth, productivity, essential oil content and composition of peppermint ( Mentha piperita L.).…”

Section: Introductionmentioning

confidence: 99%

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Selective extraction of high‐value phenolic compounds from distillation wastewater of basil (Ocimum basilicum L.) by pressurized liquid extraction

et al. 2018

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During the essential oil steam distillation from aromatic herbs, huge amounts of distillation wastewaters (DWWs) are generated. These by-products represent an exceptionally rich source of phenolic compounds such as rosmarinic acid (RA) and caffeic acid (CA). Herein, the alternative use of dried basil DWWs (dDWWs) to perform a selective extraction of RA and CA by pressurized liquid extraction (PLE) employing bio-based solvent was studied. To select the most suitable solvent for PLE, the theoretical modelling of Hansen solubility parameters (HSP) was carried out. This approach allows reducing the list of candidate to two solvents: ethanol and ethyl lactate. Due to the composition of the sample, mixtures of water with those solvents were also tested. An enriched PLE extract in RA (23.90 ± 2.06 mg/g extract) with an extraction efficiency of 75.89 ± 16.03% employing a water-ethanol mixture 25:75 (% v/v) at 50°C was obtained. In the case of CA, a PLE extract with 2.42 ± 0.04 mg/g extract, having an extraction efficiency of 13.86 ± 4.96% using ethanol absolute at 50°C was achieved. DWWs are proposed as new promising sources of natural additives and/or functional ingredients for cosmetic, nutraceutical, and food applications.

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Molecular mechanisms of neuroprotective offerings by rosmarinic acid against neurodegenerative and other CNS pathologies

Ravaria

Saxena

et al. 2023

Phytotherapy Research

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Rosmarinic acid (RA) is a natural phenolic compound present in culinary herbs of the Boraginaceae, Lamiaceae/Labiatae, and Nepetoideae families. While the medicinal applications of these plants have been known for ages, RA has only been relatively recently established as an effective ameliorative agent against various disorders including cardiac diseases, cancer, and neuropathologies. In particular, several studies have confirmed the neuroprotective potential of RA in multiple cellular and animal models, as well as in clinical studies. The neuroprotective effects mediated by RA stem from its multimodal actions on a plethora of cellular and molecular pathways; including oxidative, bioenergetic, neuroinflammatory, and synaptic signaling. In recent years, RA has garnered tremendous interest as an ideal therapeutic candidate for treating neurodegenerative diseases. This review first briefly discusses the pharmacokinetics of RA and then proceeds to detail the neuroprotective mechanisms of RA at the molecular levels. Finally, the authors focus on the ameliorative potential of RA against several central nervous system (CNS) disorders, ranging from neuropsychological stress and epilepsy to neurodegenerative diseases such as Alzheimer's disease, Huntington's disease, Parkinson's disease, Lewy body dementia, and amyotrophic lateral sclerosis.

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Oil distillation wastewaters from aromatic herbs as new natural source of antioxidant compounds

Cited by 57 publications

References 40 publications

Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2)

Virtual Screening of Natural Products against Type II Transmembrane Serine Protease (TMPRSS2), the Priming Agent of Coronavirus 2 (SARS-CoV-2)

Selective extraction of high‐value phenolic compounds from distillation wastewater of basil (Ocimum basilicum L.) by pressurized liquid extraction

Molecular mechanisms of neuroprotective offerings by rosmarinic acid against neurodegenerative and other CNS pathologies

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