Phytochemical Profile and Herbicidal (Phytotoxic), Antioxidants Potential of Essential Oils from <i>Calycolpus goetheanus</i> (Myrtaceae) Specimens, and in Silico Study
The essential oil (EO) of Calycolpus goetheanus (Myrtaceae) specimens (A, B, and C) were obtained through hydrodistillation. The analysis of the chemical composition of the EOs was by gas chromatography coupled with mass spectrometry CG-MS, and gas chromatography coupled with a flame ionization dete...
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MDPI AG
2022-07-01
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| author | Celeste de Jesus Pereira Franco Oberdan Oliveira Ferreira Jorddy Neves Cruz Everton Luiz Pompeu Varela Ângelo Antônio Barbosa de Moraes Lidiane Diniz do Nascimento Márcia Moraes Cascaes Antônio Pedro da Silva Souza Filho Rafael Rodrigues Lima Sandro Percário Mozaniel Santana de Oliveira Eloisa Helena de Aguiar Andrade |
| author_facet | Celeste de Jesus Pereira Franco Oberdan Oliveira Ferreira Jorddy Neves Cruz Everton Luiz Pompeu Varela Ângelo Antônio Barbosa de Moraes Lidiane Diniz do Nascimento Márcia Moraes Cascaes Antônio Pedro da Silva Souza Filho Rafael Rodrigues Lima Sandro Percário Mozaniel Santana de Oliveira Eloisa Helena de Aguiar Andrade |
| author_sort | Celeste de Jesus Pereira Franco |
| collection | DOAJ |
| description | The essential oil (EO) of Calycolpus goetheanus (Myrtaceae) specimens (A, B, and C) were obtained through hydrodistillation. The analysis of the chemical composition of the EOs was by gas chromatography coupled with mass spectrometry CG-MS, and gas chromatography coupled with a flame ionization detector CG-FID. The phytotoxic activity of those EOs was evaluated against two weed species from common pasture areas in the Amazon region: <i>Mimosa pudica</i> L. and <i>Senna obtusifolia</i> (L.) The antioxidant capacity of the EOs was determined by (DPPH<sup>•</sup>) and (ABTS<sup>•+</sup>). Using molecular docking, we evaluated the interaction mode of the major EO compounds with the molecular binding protein 4-hydroxyphenylpyruvate dioxygenase (HPPD). The EO of specimen A was characterized by β-eudesmol (22.83%), (<i>E</i>)-caryophyllene (14.61%), and γ-eudesmol (13.87%), while compounds 1,8-cineole (8.64%), (<i>E</i>)-caryophyllene (5.86%), δ-cadinene (5.78%), and palustrol (4.97%) characterize the chemical profile of specimen B’s EOs, and specimen C had α-cadinol (9.03%), δ-cadinene (8.01%), and (<i>E</i>)-caryophyllene (6.74%) as the majority. The phytotoxic potential of the EOs was observed in the receptor species <i>M. pudica</i> with percentages of inhibition of 30%, and 33.33% for specimens B and C, respectively. The EOs’ antioxidant in DPPH<sup>•</sup> was 0.79 ± 0.08 and 0.83 ± 0.02 mM for specimens A and B, respectively. In the TEAC, was 0.07 ± 0.02 mM for specimen A and 0.12 ± 0.06 mM for specimen B. In the results of the in silico study, we observed that the van der Waals and hydrophobic interactions of the alkyl and pi-alkyl types were the main interactions responsible for the formation of the receptor–ligand complex. |
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| spelling | doaj.art-7036dc68376a4945a8f0bcfbbe09b50b2023-11-30T22:39:20ZengMDPI AGMolecules1420-30492022-07-012715467810.3390/molecules27154678Phytochemical Profile and Herbicidal (Phytotoxic), Antioxidants Potential of Essential Oils from <i>Calycolpus goetheanus</i> (Myrtaceae) Specimens, and in Silico StudyCeleste de Jesus Pereira Franco0Oberdan Oliveira Ferreira1Jorddy Neves Cruz2Everton Luiz Pompeu Varela3Ângelo Antônio Barbosa de Moraes4Lidiane Diniz do Nascimento5Márcia Moraes Cascaes6Antônio Pedro da Silva Souza Filho7Rafael Rodrigues Lima8Sandro Percário9Mozaniel Santana de Oliveira10Eloisa Helena de Aguiar Andrade11Faculdade de Química, Universidade Federal do Pará, Rua Augusto Corrêa S/N, Guamá, Belém 66075-900, Pará, BrazilPrograma de Pós-Graduação em Biodiversidade e Biotecnologia-Rede Bionorte, Instituto de Ciências Biológicas, Universidade Federal do Pará, Rua Augusto Corrêa S/N, Guamá, Belém 66075-900, Pará, BrazilLaboratory of Functional and Structural Biology, Institute of Biological Sciences, Universidade Federal do Pará, Rua Augusto Corrêa S/N, Guamá, Belém 66075-900, Pará, BrazilPrograma de Pós-Graduação em Biodiversidade e Biotecnologia-Rede Bionorte, Instituto de Ciências Biológicas, Universidade Federal do Pará, Rua Augusto Corrêa S/N, Guamá, Belém 66075-900, Pará, BrazilFaculdade de Química, Universidade Federal do Pará, Rua Augusto Corrêa S/N, Guamá, Belém 66075-900, Pará, BrazilLaboratório Adolpho Ducke—Coordenação de Botânica, Museu Paraense Emílio Goeldi, Av. Perimetral, 1901, Terra Firme, Belém 66077-830, Pará, BrazilPrograma de Pós-Graduação em Química, Universidade Federal do Pará, Rua Augusto Corrêa S/N, Guamá, Belém 66075-900, Pará, BrazilEmbrapa Amazônia Oriental, Tv. Dr. Enéas Pinheiro, s/n-Marco, Belém 66095-903, Pará, BrazilLaboratory of Functional and Structural Biology, Institute of Biological Sciences, Universidade Federal do Pará, Rua Augusto Corrêa S/N, Guamá, Belém 66075-900, Pará, BrazilLaboratório de Pesquisas em Estresse Oxidativo, Instituto de Ciências Biológicas, Universidade Federal do Pará, Rua Augusto Corrêa S/N, Guamá, Belém 66075-900, Pará, BrazilLaboratório Adolpho Ducke—Coordenação de Botânica, Museu Paraense Emílio Goeldi, Av. Perimetral, 1901, Terra Firme, Belém 66077-830, Pará, BrazilPrograma de Pós-Graduação em Biodiversidade e Biotecnologia-Rede Bionorte, Instituto de Ciências Biológicas, Universidade Federal do Pará, Rua Augusto Corrêa S/N, Guamá, Belém 66075-900, Pará, BrazilThe essential oil (EO) of Calycolpus goetheanus (Myrtaceae) specimens (A, B, and C) were obtained through hydrodistillation. The analysis of the chemical composition of the EOs was by gas chromatography coupled with mass spectrometry CG-MS, and gas chromatography coupled with a flame ionization detector CG-FID. The phytotoxic activity of those EOs was evaluated against two weed species from common pasture areas in the Amazon region: <i>Mimosa pudica</i> L. and <i>Senna obtusifolia</i> (L.) The antioxidant capacity of the EOs was determined by (DPPH<sup>•</sup>) and (ABTS<sup>•+</sup>). Using molecular docking, we evaluated the interaction mode of the major EO compounds with the molecular binding protein 4-hydroxyphenylpyruvate dioxygenase (HPPD). The EO of specimen A was characterized by β-eudesmol (22.83%), (<i>E</i>)-caryophyllene (14.61%), and γ-eudesmol (13.87%), while compounds 1,8-cineole (8.64%), (<i>E</i>)-caryophyllene (5.86%), δ-cadinene (5.78%), and palustrol (4.97%) characterize the chemical profile of specimen B’s EOs, and specimen C had α-cadinol (9.03%), δ-cadinene (8.01%), and (<i>E</i>)-caryophyllene (6.74%) as the majority. The phytotoxic potential of the EOs was observed in the receptor species <i>M. pudica</i> with percentages of inhibition of 30%, and 33.33% for specimens B and C, respectively. The EOs’ antioxidant in DPPH<sup>•</sup> was 0.79 ± 0.08 and 0.83 ± 0.02 mM for specimens A and B, respectively. In the TEAC, was 0.07 ± 0.02 mM for specimen A and 0.12 ± 0.06 mM for specimen B. In the results of the in silico study, we observed that the van der Waals and hydrophobic interactions of the alkyl and pi-alkyl types were the main interactions responsible for the formation of the receptor–ligand complex.https://www.mdpi.com/1420-3049/27/15/4678natural productsvolatile compoundsterpenesallelopathyantioxidant capacity |
| spellingShingle | Celeste de Jesus Pereira Franco Oberdan Oliveira Ferreira Jorddy Neves Cruz Everton Luiz Pompeu Varela Ângelo Antônio Barbosa de Moraes Lidiane Diniz do Nascimento Márcia Moraes Cascaes Antônio Pedro da Silva Souza Filho Rafael Rodrigues Lima Sandro Percário Mozaniel Santana de Oliveira Eloisa Helena de Aguiar Andrade Phytochemical Profile and Herbicidal (Phytotoxic), Antioxidants Potential of Essential Oils from <i>Calycolpus goetheanus</i> (Myrtaceae) Specimens, and in Silico Study Molecules natural products volatile compounds terpenes allelopathy antioxidant capacity |
| title | Phytochemical Profile and Herbicidal (Phytotoxic), Antioxidants Potential of Essential Oils from <i>Calycolpus goetheanus</i> (Myrtaceae) Specimens, and in Silico Study |
| title_full | Phytochemical Profile and Herbicidal (Phytotoxic), Antioxidants Potential of Essential Oils from <i>Calycolpus goetheanus</i> (Myrtaceae) Specimens, and in Silico Study |
| title_fullStr | Phytochemical Profile and Herbicidal (Phytotoxic), Antioxidants Potential of Essential Oils from <i>Calycolpus goetheanus</i> (Myrtaceae) Specimens, and in Silico Study |
| title_full_unstemmed | Phytochemical Profile and Herbicidal (Phytotoxic), Antioxidants Potential of Essential Oils from <i>Calycolpus goetheanus</i> (Myrtaceae) Specimens, and in Silico Study |
| title_short | Phytochemical Profile and Herbicidal (Phytotoxic), Antioxidants Potential of Essential Oils from <i>Calycolpus goetheanus</i> (Myrtaceae) Specimens, and in Silico Study |
| title_sort | phytochemical profile and herbicidal phytotoxic antioxidants potential of essential oils from i calycolpus goetheanus i myrtaceae specimens and in silico study |
| topic | natural products volatile compounds terpenes allelopathy antioxidant capacity |
| url | https://www.mdpi.com/1420-3049/27/15/4678 |
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