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Keywords = Piper divaricatum

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9 pages, 2533 KiB  
Article
Molecular Modeling Approaches Can Reveal the Molecular Interactions Established between a Biofilm and the Bioactive Compounds of the Essential Oil of Piper divaricatum
by Jorddy Neves Cruz, Mozaniel Santana de Oliveira, Eloisa Helena de Aguiar Andrade and Rafael Rodrigues Lima
Molecules 2022, 27(13), 4199; https://doi.org/10.3390/molecules27134199 - 29 Jun 2022
Cited by 4 | Viewed by 2240
Abstract
Molecular modeling approaches are used in a versatile way to investigate the properties of diverse organic and inorganic structures such as proteins, biomolecules, nanomaterials, functionalized nanoparticles, and membranes. However, more detailed studies are needed to understand the molecular nature of interactions established in [...] Read more.
Molecular modeling approaches are used in a versatile way to investigate the properties of diverse organic and inorganic structures such as proteins, biomolecules, nanomaterials, functionalized nanoparticles, and membranes. However, more detailed studies are needed to understand the molecular nature of interactions established in gelatin biofilms impregnated with bioactive compounds. Because of this, we used computational methods to evaluate how the major compounds of Piper divaricatum essential oil can interact with the gelatin biofilm structure. For this, we used as inspiration the paper published, where various properties of the essential oil impregnated gelatin biofilm P. divaricatum are reported. After our computer simulations, we related our molecular observations to biofilm’s structural and mechanical properties. Our results suggest that the major compounds of the essential oil were able to interrupt intermolecular interactions between the chains of the biofilm matrix. However, the compounds also established interactions with the amino acid residues of these chains. Our molecular analyses also explain changes in the structural and mechanical properties of the essential oil-impregnated biofilm. These results can support the planning of functional packaging impregnated with bioactive compounds that can protect food against microorganisms harmful to human health. Full article
(This article belongs to the Section Molecular Structure)
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15 pages, 1279 KiB  
Article
Secondary Metabolism and Plant Growth of Piper divaricatum (Piperaceae) Inoculated with Arbuscular Mycorrhizal Fungi and Phosphorus Supplementation
by Joyce Solange de Oliveira, Nayara P. Ramos, Jair Leão Júnior, Luciana P. Xavier, Eloisa Helena Andrade, Andréa H. Mello, William N. Setzer and Joyce Kelly R. Da Silva
Agronomy 2022, 12(3), 596; https://doi.org/10.3390/agronomy12030596 - 27 Feb 2022
Cited by 14 | Viewed by 3525
Abstract
Arbuscular mycorrhizal fungi (AMF) species and/or phosphorus addition in the soil can affect secondary metabolism production and growth in plants. This study evaluated these effects on Piper divaricatum culture, which presents an essential oil rich in phenylpropanoids. Growth parameters, leaf volatile composition, total [...] Read more.
Arbuscular mycorrhizal fungi (AMF) species and/or phosphorus addition in the soil can affect secondary metabolism production and growth in plants. This study evaluated these effects on Piper divaricatum culture, which presents an essential oil rich in phenylpropanoids. Growth parameters, leaf volatile composition, total phenolic content, and the enzymatic activity of lipoxygenase (LOX) and phenylalanine ammonia-lyase (PAL) were monitored. At 90 days post inoculation (dpi), the treatments with AMF and AMF + P were more effective in terms of the number and biomass of leaves. In addition, the AMF group had increased plant height and root length. Phenylpropanoid and methyl eugenol contents were higher at 30 dpi in the P and AMF + P association treatments. However, at 90 dpi, the plants with P addition at 20 mg·dm−3 and AMF + 200 mg of P·dm−3 showed higher phenolic contents and PAL activity, respectively. All treatments increased LOX activity, especially with P addition at 200 mg·dm−3. These results demonstrate that P and AMF can be applied to optimize leaf biomass and volatile compound production in P. divaricatum. Full article
(This article belongs to the Special Issue Research Progress and Application Prospect of Medicinal Plants)
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17 pages, 2464 KiB  
Article
Antifungal Activity and Computational Study of Constituents from Piper divaricatum Essential Oil against Fusarium Infection in Black Pepper
by Joyce Kelly R. Da Silva, José Rogério A. Silva, Soelange B. Nascimento, Shirlley F. M. Da Luz, Erisléia N. Meireles, Cláudio N. Alves, Alessandra R. Ramos and José Guilherme S. Maia
Molecules 2014, 19(11), 17926-17942; https://doi.org/10.3390/molecules191117926 - 4 Nov 2014
Cited by 45 | Viewed by 10509
Abstract
Fusarium disease causes considerable losses in the cultivation of Piper nigrum, the black pepper used in the culinary world. Brazil was the largest producer of black pepper, but in recent years has lost this hegemony, with a significant reduction in its production, [...] Read more.
Fusarium disease causes considerable losses in the cultivation of Piper nigrum, the black pepper used in the culinary world. Brazil was the largest producer of black pepper, but in recent years has lost this hegemony, with a significant reduction in its production, due to the ravages produced by the Fusarium solani f. sp. piperis, the fungus which causes this disease. Scientific research seeks new alternatives for the control and the existence of other Piper species in the Brazilian Amazon, resistant to disease, are being considered in this context. The main constituents of the oil of Piper divaricatum are methyleugenol (75.0%) and eugenol (10.0%). The oil and these two main constituents were tested individually at concentrations of 0.25 to 2.5 mg/mL against F. solani f. sp. piperis, exhibiting strong antifungal index, from 18.0% to 100.0%. The 3D structure of the β-glucosidase from Fusarium solani f. sp. piperis, obtained by homology modeling, was used for molecular docking and molecular electrostatic potential calculations in order to determine the binding energy of the natural substrates glucose, methyleugenol and eugenol. The results showed that β-glucosidase (Asp45, Arg113, Lys146, Tyr193, Asp225, Trp226 and Leu99) residues play an important role in the interactions that occur between the protein-substrate and the engenol and methyleugenol inhibitors, justifying the antifungal action of these two phenylpropenes against Fusarium solani f. sp. piperis. Full article
(This article belongs to the Section Natural Products Chemistry)
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