Extraction Yield, Chemical Composition, Preliminary Toxicity of Bignonia nocturna (Bignoniaceae) Essential Oil and in Silico Evaluation of the Interaction

2021 ◽  
Vol 18 (4) ◽  
Author(s):  
Mozaniel Santana de Oliveira ◽  
Valdeline Maria Pereira da Silva ◽  
Lucas Cantão Freitas ◽  
Sebastião Gomes Silva ◽  
Jorddy Nevez Cruz ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Essential Oil ◽  
In Silico ◽  
Extraction Yield

scholarly journals Chemical Composition, In Vitro and In Silico Antioxidant Potential of Melissa officinalis subsp. officinalis Essential Oil

Antioxidants ◽  
2021 ◽  
Vol 10 (7) ◽  
pp. 1081
Author(s):  
Matilda Rădulescu ◽  
Călin Jianu ◽  
Alexandra Teodora Lukinich-Gruia ◽  
Marius Mioc ◽  
Alexandra Mioc ◽  
...  
Keyword(s):  
Antioxidant Activity ◽  
Chemical Composition ◽  
Essential Oil ◽  
In Silico ◽  
Antioxidant Properties ◽  
Radical Scavenging ◽  
Inhibitory Effect ◽  
Melissa Officinalis ◽  
Β Carotene

The investigation aimed to study the in vitro and in silico antioxidant properties of Melissa officinalis subsp. officinalis essential oil (MOEO). The chemical composition of MOEO was determined using GC–MS analysis. Among 36 compounds identified in MOEO, the main were beta-cubebene (27.66%), beta-caryophyllene (27.41%), alpha-cadinene (4.72%), caryophyllene oxide (4.09%), and alpha-cadinol (4.07%), respectively. In vitro antioxidant properties of MOEO have been studied in 2,2’-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) and 2,2-diphenyl-1-picrylhydrazyl (DPPH) free-radical scavenging, and inhibition of β-carotene bleaching assays. The half-maximal inhibitory concentration (IC50) for the radical scavenging abilities of ABTS and DPPH were 1.225 ± 0.011 μg/mL and 14.015 ± 0.027 μg/mL, respectively, demonstrating good antioxidant activity. Moreover, MOEO exhibited a strong inhibitory effect (94.031 ± 0.082%) in the β-carotene bleaching assay by neutralizing hydroperoxides, responsible for the oxidation of highly unsaturated β-carotene. Furthermore, molecular docking showed that the MOEO components could exert an in vitro antioxidant activity through xanthine oxidoreductase inhibition. The most active structures are minor MOEO components (approximately 6%), among which the highest affinity for the target protein belongs to carvacrol.

Anti-Proliferative Activity of Piper trioicum Leaf Essential Oil Based on Phytoconstituent Analysis, Molecular Docking and In Silico ADMET Approaches

2021 ◽  
Vol 25 ◽  
Author(s):  
Sudipta Jena ◽  
Asit Ray ◽  
Ambika Sahoo ◽  
Prabhat Kumar Das ◽  
Pradeep Kumar Kamila ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Chemical Composition ◽  
Essential Oil ◽  
Essential Oils ◽  
Cell Lines ◽  
In Silico ◽  
Proliferative Activity ◽  
In Silico Admet ◽  
Leaf Essential Oil ◽  
Ht 29

Background: The essential oils isolated from several medicinal plants are reported to have anticancer activities. Both the essential oil and extracts of many Piper species (Piperaceae) possess potential cytotoxic effect against cancer cell lines and are being used in traditional system of medicine for the treatment of cancer. There is a need to evaluate and validate the anticancer properties of essential oils extracted from other wild species of Piper. Objective: The current research was undertaken to determine the chemical composition and investigate the anti-proliferative activity of wild growing Piper trioicum leaf essential oil. The selected five major constituents were subjected to molecular docking to identify possible modes of binding against serine/threonine-protein kinase (MST3) protein Methods: The essential oil of leaf of P. trioicum was extracted by hydro distillation method and its chemical composition was carried out by GC-FID and GC-MS. The anti-proliferative activity of the essential oil was evaluated by MTT assay against normal (3T3-L1) and various cancer (HCT 116, HT-29, PC-3 and HepG2) cell lines. Molecular docking analysis was performed using AutoDock 4.2 software. The pharmacokinetic and pharmacodynamic properties of the major constituents were determined using absorption, distribution, metabolization, excretion and toxicity (ADMET) analysis. Results: The GC-MS analysis revealed the identification of 45 constituents with δ-cadinene (19.57%), germacrene-D (8.54%), β-caryophyllene (6.84%), 1-epi-cubenol (4.83%) and α-pinene (4.52%) were found to be predominant constituents in the leaf essential oil of P. trioicum. The highest cytotoxicity of essential oil was observed against HT-29 cells (IC50 value of 33.14 µg/ml). 1-epi-cubenol and δ-Cadinene exhibited low binding energy values of -6.25 and -5.92 kcal/mol, respectively. For prediction of in silico pharmacokinetic and druglike properties of the major compounds, ADMET prediction tool was also used, the results of which came within the ideal range. Conclusion: The present findings demonstrated that P. trioicum essential oil possesses significant anti-proliferative activity and could be effective against cancer treatment.

scholarly journals Effect of different liming levels on the biomass production and essential oil extraction yield of Cunila galioides Benth

2012 ◽  
Vol 72 (4) ◽  
pp. 787-793 ◽  
Author(s):  
AJ. Mossi ◽  
GF. Pauletti ◽  
L. Rota ◽  
S. Echeverrigaray ◽  
IBI. Barros ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Essential Oil ◽  
Biomass Production ◽  
Acid Soils ◽  
Dry Weight ◽  
Extraction Yield ◽  
Oil Yield ◽  
Experimental Conditions ◽  
Set Up ◽  
Essential Oil Yield

Poejo is an aromatic and medicinal plant native to highland areas of south Brazil, in acid soils with high Al3+ concentration. The main objective of the present work was to evaluate the effect of liming on the extraction yield of essential oil of three chemotypes of poejo (Cunila galioides Benth). For this purpose, the experiments were performed in a greenhouse, using 8-litre pots. The treatments were four dosages of limestone (0, 3.15, 12.5, and 25 g.L-1) and a completely random experimental design was used, with four replications and three chemotypes, set up in a 3 × 4 factorial arrangement. The parameters evaluated were dry weight of aerial parts, essential oil content and chemical composition of essential oil. Results showed that liming affects the biomass production, essential oil yield and chemical composition, with cross interaction verified between chemotype and limestone dosage. For the higher dosage lower biomass production, lower yield of essential oil as well as the lowest content of citral (citral chemotype) and limonene (menthene chemotype) was observed. In the ocimene chemotype, no liming influence was observed on the essential oil yield and on the content of major compounds. The dosage of 3.15 g.L-1 can be considered the best limestone dosage for the production of poejo for the experimental conditions evaluated.

scholarly journals Chemical Composition and Preliminary Toxicity Evaluation of the Essential Oil from Peperomia circinnata Link var. circinnata. (Piperaceae) in Artemia salina Leach

Molecules ◽  
2021 ◽  
Vol 26 (23) ◽  
pp. 7359
Author(s):  
Késsia do Socorro Miranda Mesquita ◽  
Bruna de Souza Feitosa ◽  
Jorddy Neves Cruz ◽  
Oberdan Oliveira Ferreira ◽  
Celeste de Jesus Pereira Franco ◽  
...  
Keyword(s):  
Chemical Composition ◽  
Essential Oil ◽  
In Silico ◽  
Biological Activities ◽  
Interaction Mechanism ◽  
Artemia Salina ◽  
A Value ◽  
Seasonal Study ◽  
In Silico Study ◽  
Aroma Chemical

Peperomia Ruiz and Pav, the second largest genus of the Piperaceae, has over the years shown potential biological activities. In this sense, the present work aimed to carry out a seasonal and circadian study on the chemical composition of Peperomia circinata essential oils and aromas, as well as to evaluate the preliminary toxicity in Artemia salina Leach and carry out an in silico study on the interaction mechanism. The chemical composition was characterized by gas chromatography (GC/MS and GC-FID). In the seasonal study the essential oil yields had a variation of 1.2–7.9%, and in the circadian study the variation was 1.5–5.6%. The major compounds in the seasonal study were β-phellandrene and elemicin, in the circadian they were β-phellandrene and myrcene, and the aroma was characterized by the presence of β-phellandrene. The multivariate analysis showed that the period and time of collection influenced the essential oil and aroma chemical composition. The highest toxicity value was observed for the essential oil obtained from the dry material, collected in July with a value of 14.45 ± 0.25 μg·mL−1, the in silico study showed that the major compounds may be related to potential biological activity demonstrated by the present study.

scholarly journals Comparison between Hydrodistillation with Steam Explosion and Conventional Hydrodistillation in Kaffir Lime Oil Extraction

2019 ◽  
Vol 39 (4) ◽  
pp. 306
Author(s):  
Yustina Wuri Wulandari ◽  
Supriyadi Supriyadi ◽  
Chairil Anwar
Keyword(s):  
Chemical Composition ◽  
Essential Oil ◽  
Steam Explosion ◽  
Oil Quality ◽  
Oil Extraction ◽  
Extraction Yield ◽  
Extraction Time ◽  
Pretreatment Method ◽  
Adverse Influence

Steam explosion was proposed as a pretreatment method to accelerate the hydrodistillation (SE-HD) of kaffir lime leaves. This research aimed to compare SE-HD and conventional hydrodistillation (HD) in terms of extraction yield, extraction time, chemical composition, and essential oil quality. The extraction of kaffir lime oil with SE-HD was superior to HD with regard to extraction time (35 min. vs 120 min.) and extraction yield (1.386% vs 1.182%). The chemical composition and the quality of the extracted essential oil from both methods were quite similar, indicating the absence of adverse influence from the application of steam explosion as pretreatment. Therefore, SE-HD was a fast and an energy-saving method for extracting essential oil from kaffir lime leaves.

Effects of Microwave and Cold Plasma Assisted Hydrodistillation on Lemon Peel Oil Extraction

2019 ◽  
Vol 15 (10) ◽  
Author(s):  
C. H. Pragna ◽  
T. K. Ranjitha Gracy ◽  
R. Mahendran ◽  
C. Anandharamakrishnan
Keyword(s):  
Chemical Composition ◽  
Essential Oil ◽  
Plasma Treatment ◽  
Oil Extraction ◽  
Extraction Yield ◽  
Gas Chromatography Mass Spectrometry ◽  
Dbd Plasma ◽  
Lemon Peel ◽  
Lemon Peel Oil ◽  
Peel Oil

AbstractThis study aimed to investigate the effect of low-pressure dielectric barrier discharge (DBD) plasma on microwave-assisted hydrodistillation of lemon peel oil extraction. Microwave pre-treated lemon peel powder was exposed to plasma treatment (1.0, 1.5, 2.0, and 2.5 kV) for 10 min. The treated lemon peel powders were subjected to hydrodistillation to extract the essential oil and the extraction yields were calculated. The extracted oil was analyzed for chemical composition with gas chromatography-mass spectrometry (GC-MS). Effect of plasma on the surface morphology of the lemon peel was observed in a scanning electron microscope (SEM) which revealed the formation of fissures and cracks owing to the higher extraction yield. Plasma treatment at 2.5 kV was observed higher extraction yield than conventional hydrodistillation (149.34 % rise) and the chemical composition of plasma treated sample essential oil remains significantly unchanged. Thus, DBD plasma could be a promising technique to enhance the lemon peel essential oil extraction.

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