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In the original publication [...].
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The emergence and rapid evolution of human pathogenic viruses, combined with the difficulties in developing effective vaccines, underline the need to develop innovative broad-spectrum antiviral therapeutic agents. The present study aims to determine the in silico antiviral potential of six bacterial antimicrobial peptides (AMPs), two phytochemicals (silvestrol, andrographolide), and two bacterial secondary metabolites (lyngbyabellin A, hapalindole H) against dengue virus, Zika virus, Ebola virus, the major variants of SARS-CoV-2 and monkeypox virus. The comparison of docking scores obtained with natural biomolecules was performed with specific neutralizing antibodies (positive controls for ClusPro) and antiviral drugs (negative controls for Autodock Vina). Glycocin F was the only natural biomolecule tested to show high binding energies to all viral surface proteins and the corresponding viral cell receptors. Lactococcin G and plantaricin ASM1 also achieved high docking scores with all viral surface proteins and most corresponding cell surface receptors. Silvestrol, andrographolide, hapalindole H, and lyngbyabellin A showed variable docking scores depending on the viral surface proteins and cell receptors tested. Three glycocin F mutants with amino acid modifications showed an increase in their docking energy to the spike proteins of SARS-CoV-2 B.1.617.2 Indian variant, and of the SARS-CoV-2 P.1 Japan/Brazil variant, and the dengue DENV envelope protein. All mutant AMPs indicated a frequent occurrence of valine and proline amino acid rotamers. AMPs and glycocin F in particular are the most promising biomolecules for the development of broad-spectrum antiviral treatments targeting the attachment and entry of viruses into their target cell.
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Tratamento Farmacológico da COVID-19 , Dengue , Doença pelo Vírus Ebola , Zika virus , Aminoácidos , Anticorpos Neutralizantes/uso terapêutico , Antivirais/química , Antivirais/farmacologia , Antivirais/uso terapêutico , Benzofuranos , Dengue/tratamento farmacológico , Diterpenos , Doença pelo Vírus Ebola/tratamento farmacológico , Humanos , Simulação de Acoplamento Molecular , Monkeypox virus/metabolismo , Prolina/uso terapêutico , SARS-CoV-2/genética , Glicoproteína da Espícula de Coronavírus/metabolismo , Valina/uso terapêutico , Zika virus/genética , Zika virus/metabolismoRESUMO
The management of insect pests and fungal diseases that cause damage to crops has become challenging due to the rise of pesticide and fungicide resistance. The recent developments in studies related to plant-derived essential oil products has led to the discovery of a range of phytochemicals with the potential to combat pesticide and fungicide resistance. This review paper summarizes and interprets the findings of experimental work based on plant-based essential oils in combination with existing pesticidal and fungicidal agents and novel bioactive natural and synthetic molecules against the insect pests and fungi responsible for the damage of crops. The insect mortality rate and fractional inhibitory concentration were used to evaluate the insecticidal and fungicidal activities of essential oil synergists against crop-associated pests. A number of studies have revealed that plant-derived essential oils are capable of enhancing the insect mortality rate and reducing the minimum inhibitory concentration of commercially available pesticides, fungicides and other bioactive molecules. Considering these facts, plant-derived essential oils represent a valuable and novel source of bioactive compounds with potent synergism to modulate crop-associated insect pests and phytopathogenic fungi.
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The preservation of active constituents in fresh herbs is affected by drying methods. An effective drying method for Strobilanthes crispus which is increasingly marketed as an important herbal tea remains to be reported. This study evaluated the effects of conventional and new drying technologies, namely vacuum microwave drying methods, on the antioxidant activity and yield of essential oil volatiles and phytosterols. These drying methods included convective drying (CD) at 40 °C, 50 °C, and 60 °C; vacuum microwave drying (VMD) at 6, 9, and 12 W/g; convective pre-drying and vacuum microwave finish drying (CPD-VMFD) at 50 °C and 9 W/g; and freeze-drying (FD). GCMS revealed 33 volatiles, and 2-hexen-1-ol, 2-hexenal, 1-octen-3-ol, linalool, and benzaldehyde were major constituents. The compounds ß-sitosterol and α-linolenic acid were the most abundant phytosterol and fatty acid, respectively, in fresh S. crispus. The highest phenolic content was achieved with CD at 60 °C. The highest antioxidant activity was obtained with CD at 40 °C and VMD at 9 W/g. On the contrary, the highest total volatiles and phytosterols were detected with CD at 50 °C and VMD at 9 W/g, respectively. This study showed that CD and VMD were effective in producing highly bioactive S. crispus. A suitable drying parameter level, irrespective of the drying method used, was an important influencing factor.
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Acanthaceae/química , Antioxidantes/análise , Micro-Ondas , Fitosteróis/análise , Liofilização , VácuoRESUMO
The preservation of active constituents in Cassia alata through the removal of moisture is crucial in producing a final product with high antioxidant activity. This study aims to determine the influences of various drying methods and drying conditions on the antioxidant activity, volatiles and phytosterols content of C. alata. The drying methods used were convective drying (CD) at 40 °C, 50 °C and 60 °C; freeze drying; vacuum microwave drying (VMD) at 6, 9 and 12 W/g; and two-stage convective pre-drying followed by vacuum microwave finish drying (CPD-VMFD) at 50 °C and 9 W/g. The drying kinetics of C. alata are best described by the thin-layer model (modified Page model). The highest antioxidant activity, TPC and volatile concentration were achieved with CD at 40 °C. GC-MS analysis identified the presence of 51 volatiles, which were mostly present in all samples but with quantitative variation. The dominant volatiles in fresh C. alata are 2-hexenal (60.28 mg 100 g-1 db), 1-hexanol (18.70 mg 100 g-1 db) and salicylic acid (15.05 mg 100 g-1 db). The concentration of phytosterols in fresh sample was 3647.48 mg 100 g-1 db, and the major phytosterols present in fresh and dried samples were ß-sitosterol (1162.24 mg 100 g-1 db). CPD-VMFD was effective in ensuring the preservation of higher phytosterol content in comparison with CD at 50 °C. The final recommendation of a suitable drying method to dehydrate C. alata leaves is CD at 40 °C.
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Antioxidantes/química , Cassia/química , Óleos Voláteis/química , Compostos Orgânicos Voláteis/química , Aldeídos/química , Antioxidantes/isolamento & purificação , Liofilização , Cromatografia Gasosa-Espectrometria de Massas , Hexanóis/química , Micro-Ondas , Fitosteróis/química , Folhas de Planta/química , Ácido Salicílico/química , Vácuo , Compostos Orgânicos Voláteis/isolamento & purificaçãoRESUMO
The phenolic constituents in Piper betle are well known for their antioxidant potential; however, current literature has very little information on their stability under the influence of storage factors. Present study evaluated the stability of total phenolic content (TPC) and antioxidant activity together with individual phenolic constituents (hydroxychavicol, eugenol, isoeugenol and allylpyrocatechol 3,4-diacetate) present in dried Piper betle's extract under different storage temperature of 5 and 25 °C with and without light for a period of six months. Both light and temperature significantly influenced TPC and its corresponding antioxidant activity over time. More than 95% TPC and antioxidant activity was retained at 5 °C in dark condition after 180 days of storage. Hydroxychavicol demonstrated the best stability with no degradation while eugenol and isoeugenol displayed moderate stability in low temperature (5 °C) and dark conditions. 4-allyl-1,2-diacetoxybenzene was the only compound that underwent complete degradation. A new compound, 2,4-di-tert-butylphenol, was detected after five weeks of storage only in the extracts exposed to light. Both zero-order and first-order kinetic models were adopted to describe the degradation kinetics of the extract's antioxidant activity. Zero-order displayed better fit with higher correlation coefficients (R² = 0.9046) and the half-life was determined as 62 days for the optimised storage conditions (5 °C in dark conditions).
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Antioxidantes/química , Antioxidantes/farmacologia , Fenol/química , Piper betle/química , Extratos Vegetais/química , Extratos Vegetais/farmacologia , Estabilidade de Medicamentos , Sequestradores de Radicais Livres/química , Sequestradores de Radicais Livres/farmacologia , Cromatografia Gasosa-Espectrometria de Massas , Luz , Compostos Fitoquímicos/química , TemperaturaRESUMO
The objective of this study was to improve product quality of dehydrated fruits (apple, pear, papaya, mango) using combined drying techniques. This involved investigation of bioactivity, colour, and sensory assessment on colour of the dried products as well as the retention of the bio-active ingredients. The attributes of quality were compared in regard to the quality of dehydrated samples obtained from continuous heat pump (HP) drying technique. It was found that for apple, pear and mango the total colour change (ΔE) of samples dried using continuous heat pump (HP) or heat pump vacuum-microwave (HP/VM) methods was lower than of samples dried by other combined methods. However, for papaya, the lowest colour change exhibited by samples dried using hot air-cold air (HHC) method and the highest colour change was found for heat pump (HP) dehydrated samples. Sensory evaluation revealed that dehydrated pear with higher total colour change (ΔE) is more desirable because of its golden yellow appearance. In most cases the highest phenol content was found from fruits dried by HP/VM method. Judging from the quality findings on two important areas namely colour and bioactivity, it was found that combined drying method consisted of HP pre-drying followed by VM finish drying gave the best results for most dehydrated fruits studied in this work as the fruits contain first group of polyphenol compounds, which preferably requires low temperature followed by rapid drying strategy.