Journal of Essential Oil Research最新文献

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Evaluation of the antioxidant activity of the essential oils from Cantinoa carpinifolia (Benth.) and Lippia origanoides (Kunth.) by various methods 用不同的方法评价了山茱萸(Cantinoa carpinifolia, Benth.)和鹤皮草(Lippia origanoides, Kunth.)精油的抗氧化活性
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-09-30 DOI: 10.1080/10412905.2022.2115570
M. Teixeira, M. Cardoso, V. Ferreira, G. A. Campolina, A. Caetano, Cassia Duarte Oliveira, M. V. P. Alves, D. Nelson
{"title":"Evaluation of the antioxidant activity of the essential oils from Cantinoa carpinifolia (Benth.) and Lippia origanoides (Kunth.) by various methods","authors":"M. Teixeira, M. Cardoso, V. Ferreira, G. A. Campolina, A. Caetano, Cassia Duarte Oliveira, M. V. P. Alves, D. Nelson","doi":"10.1080/10412905.2022.2115570","DOIUrl":"https://doi.org/10.1080/10412905.2022.2115570","url":null,"abstract":"ABSTRACT The essential oils from Cantinoa carpinifolia (Benth.) and Lippia origanoides (Kunth.) were obtained by hydrodistillation. The constituents were determined by GC-MS and GC-FID. The antioxidant activities were evaluated by the ABTS, DPPH and hydroxyl radicals, phosphomolybdenum complex, reducing power, β-carotene/linoleic acid and the TBARS methods. Analysis of variance and the Scott–Knott test of the means at 5% were performed. The principal constituents in the essential oil from C.carpinifolia were α-thujone (32.15%) and β-thujone (22.22%), whereas carvacrol (41.51%), p-cymene (18.36%) and γ-terpinene (17.03%) were obtained from L.origanoides. The respective IC50 for the essential oils from C. carpinifolia and L.origanoides in the ABTS tests were >1000 and 110 µg mL−1; DPPH (110 and >1000 µg mL−1), hydroxyl (636 and 484 µg mL−1), β-carotene (>2000 and 215 µg mL−1) and TBARS (778 and 527µg mL−1). The L. origanoides essential oil was the most effective antioxidant.","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74406312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of essential oil and water-soluble extract obtained by steam distillation from Acacia mearnsii flowers 金合欢花水蒸气蒸馏法提取精油及水溶性提取物的研究
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-09-30 DOI: 10.1080/10412905.2022.2115568
R. Vargas, Graciane Fabiela da Silva, A. Lucas, Caroline Garcia Finkler da Silva, L. Jank, F. Barreto, E. Cassel
{"title":"Investigation of essential oil and water-soluble extract obtained by steam distillation from Acacia mearnsii flowers","authors":"R. Vargas, Graciane Fabiela da Silva, A. Lucas, Caroline Garcia Finkler da Silva, L. Jank, F. Barreto, E. Cassel","doi":"10.1080/10412905.2022.2115568","DOIUrl":"https://doi.org/10.1080/10412905.2022.2115568","url":null,"abstract":"ABSTRACT This work aimed to obtain and investigate the properties and composition of extracts from flowers of Acacia mearnsii; this tree is widely cultivated because the bark is used as a raw material for various industry segments, but the flowers are not yet explored. The essential oil was evaluated by GC/FID, GC/MS, and GC/O. The antioxidant activity (DPPH and phosphomolybdenum methods) and chemical composition were investigated for a water-soluble extract, a by-product of the extraction process. 85.8% of the compounds present in the essential oil were identified, 8-heptadecene being the major compound. The main scents detected by the olfactory analysis were roast nutty, coffee, sweet, and floral. The water-soluble extract showed antioxidant activity that may be related to phenolic compounds. Results obtained from the LC-qTOF/MS analysis have shown that 25 likely flavonoids, such as naringenin, myricetin, quercetin, and rutin are present in the extract.","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82302013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Anti-inflammatory and anti-allodynic activities in mice of the essential oil and desmethylisoencecalin from Zinnia grandiflora Nuttall 大花菊精油和去甲基异绿卡林对小鼠的抗炎和抗异动作用
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-09-20 DOI: 10.1080/10412905.2022.2118880
Valeria Reyes-Pérez, V. Granados-Soto, E. Linares, R. Bye, R. Mata, M. Déciga-Campos
{"title":"Anti-inflammatory and anti-allodynic activities in mice of the essential oil and desmethylisoencecalin from Zinnia grandiflora Nuttall","authors":"Valeria Reyes-Pérez, V. Granados-Soto, E. Linares, R. Bye, R. Mata, M. Déciga-Campos","doi":"10.1080/10412905.2022.2118880","DOIUrl":"https://doi.org/10.1080/10412905.2022.2118880","url":null,"abstract":"ABSTRACT Zinnia grandiflora (Asteraceae) is used to alleviate several painful disorders. The effects of an essential oil prepared by hydrodistillation from Z. grandiflora (EOZ) and its major compound on neuropathic pain, allodynia, and inflammation in mice were assessed. Headspace-solid phase microextraction analysis of an aqueous extract was also carried out. GC-MS analyses of all volatiles revealed that germacrene D (13.24%) and desmethylisoencecalin (DME) (13.24%) were the most abundant compounds. EOZ was effective in reducing inflammation and allodynia in mice. EOZ (300 mg/paw) reverted tactile allodynia more effectively than gabapentin (100 μg/paw). DME (0.1‒10 µg/paw) responses in the carrageenan model were concentration-dependent; the maximum effect was observed at 10 µg/paw, like that of diclofenac (30 μg/paw). In the spinal nerve ligation model, DME (0.1‒10 μg/paw) exerted a concentration-dependent anti-allodynic action; its effect was better than that of gabapentin. A method to quantify zinagrandinolide E in the crude drug was developed and validated.","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-09-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"88581804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synergized potential, insecticidal and repellent activity of essential oils from two Rhododendron species against three stored product insects 两种杜鹃属植物精油对3种储存品昆虫的增效潜力及杀虫驱避活性
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-09-07 DOI: 10.1080/10412905.2022.2118879
Yi-Xi Feng, Xin-Xin Lu, Yue Du, Jia-Wei Zhang, Borjigidai Almaz, Ding Zeng, S. Du
{"title":"Synergized potential, insecticidal and repellent activity of essential oils from two Rhododendron species against three stored product insects","authors":"Yi-Xi Feng, Xin-Xin Lu, Yue Du, Jia-Wei Zhang, Borjigidai Almaz, Ding Zeng, S. Du","doi":"10.1080/10412905.2022.2118879","DOIUrl":"https://doi.org/10.1080/10412905.2022.2118879","url":null,"abstract":"ABSTRACT In this work, the essential oils (EOs) from leaves and flowers of Rhododendron spinuliferum and Rhododendron spiciferum were extracted by hydrodistillation, chemical compositions of EOs were analyzed by GC-MS and GC-FID. For R. spinuliferum and R. spiciferum, α- and β-pinene were common major compounds. It provided an opportunity to test the potential synergistic effect of α- and β-pinene among EOs. Firstly, four EOs and two major compounds (α- and β-pinene) exhibited fumigant, contact and repellent activities to three stored-product insects. To the red flour beetle, leaves of both species exhibited stronger contact toxicity than flowers did. This trend was diverse to the booklouse. Furthermore, binary mixture bioassays of α- and β-pinene were performed following natural proportions. Results of multiple linear regression showed that α-pinene, trans-β-farnesene and bornyl acetate were responsible for the contact toxicity to the red flour beetle and booklouse with diverse contribution.","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84690266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Potential anti-inflammatory activity of the Anastatica hierochuntica essential oil 黄芪精油潜在的抗炎活性
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-09-05 DOI: 10.1080/10412905.2022.2118878
A. Alqudah, R. AbuDalo, E. Qnais, Mohammaed Wedyan, Taima Qudah, Muna Oqal
{"title":"Potential anti-inflammatory activity of the Anastatica hierochuntica essential oil","authors":"A. Alqudah, R. AbuDalo, E. Qnais, Mohammaed Wedyan, Taima Qudah, Muna Oqal","doi":"10.1080/10412905.2022.2118878","DOIUrl":"https://doi.org/10.1080/10412905.2022.2118878","url":null,"abstract":"ABSTRACT The aims of this study were to evaluate the anti-inflammatory activity and the possible anti-inflammatory mechanisms of Anastatica hierochuntica essential oil (EOAH). The essential oils were obtained by hydrodistillation of the aerial parts of the plant, and analyzed using gas chromatography and mass spectrometry (GC/MS). Their anti-inflammatory activity was evaluated using classical model of inflammation (carrageenan-induced paw edema and peritonitis). Nitric oxide radical-scavenging activity and lipid peroxidation were determined to assess the antioxidant activity of the essential oil. The EOAH mainly comprised Cuminaldehyde (33.8%), trans-β-Caryophyllene (32.5%), and Linalool (8.2%). EOAH significantly reduced edema, peritonitis, myeloperoxidase activity, and NOx-peritoneal lavage concentration induced by carrageenan. In addition, nitric oxide radical generated from sodium nitroprusside was significantly inhibited by the essential oil. Furthermore, EOAH was able to prevent Fe+2- or Fe+2 plus H2O2-induced lipid peroxidation. In conclusion, the EOAH exerts anti-inflammatory activity that could be related to its antioxidant capacity.","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87544895","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chemical composition and antioxidant activity of Ambrosia arborescens Miller leaf essential oil from Peruvian Andes 秘鲁安第斯地区木香叶精油的化学成分及抗氧化活性
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-08-29 DOI: 10.1080/10412905.2021.1937354
Leoncio Solís-Quispe, J. Pino, Jessica Z. Marín-Villa, Ciro Tomaylla-Cruz, Jorge A. Solís-Quispe, Luz J. Aragón-Alencastre, Ivones Hernández, Cindel Cuellar, I. Rodeiro, M. Fernández
{"title":"Chemical composition and antioxidant activity of Ambrosia arborescens Miller leaf essential oil from Peruvian Andes","authors":"Leoncio Solís-Quispe, J. Pino, Jessica Z. Marín-Villa, Ciro Tomaylla-Cruz, Jorge A. Solís-Quispe, Luz J. Aragón-Alencastre, Ivones Hernández, Cindel Cuellar, I. Rodeiro, M. Fernández","doi":"10.1080/10412905.2021.1937354","DOIUrl":"https://doi.org/10.1080/10412905.2021.1937354","url":null,"abstract":"ABSTRACT The chemical composition and antioxidant activity of the essential oil from the leaves of Ambrosia arborescens Miller grown in the Peruvian Andes were studied. One hundred and thirteen compounds were identified, which represents 94.7% of the total composition of the essential oil. Sesquiterpene hydrocarbons and oxygenated monoterpenes were the most represented classes of volatiles with 43.8% and 22.4%, respectively. The main constituents of the essential oil were β-acoradiene (15.3%) and chrysanthenone (11.3%). Antioxidant activities were examined using 2,2-diphenyl-1-picrylhydrazyl (DPPH), ferric reducing antioxidant power (FRAP) and determination of lipid peroxidation in brain rat homogenates (LPO) assays. The essential oil had a free radical scavenging effect, and it displayed ferric reducing capacity and antioxidant activity by inhibition of LPO.","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86890308","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Chemical and antibacterial properties of Baccharis dracunculifolia DC essential oils from different regions of Brazil 来自巴西不同地区的龙葵DC精油的化学和抗菌特性
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-08-19 DOI: 10.1080/10412905.2022.2103043
Erika da Silva Monteiro, Kelly de Sousa Monteiro, Patrícia da Silva Montes, Cláudio Augusto Gomes Camara, M. M. Moraes, C. Fagg, Daniel Oliveira Freire, Eliana Fortes Gris, I. C. Rodrigues da Silva, L. C. Sá-Barreto, Daniela Castilho Orsi
{"title":"Chemical and antibacterial properties of Baccharis dracunculifolia DC essential oils from different regions of Brazil","authors":"Erika da Silva Monteiro, Kelly de Sousa Monteiro, Patrícia da Silva Montes, Cláudio Augusto Gomes Camara, M. M. Moraes, C. Fagg, Daniel Oliveira Freire, Eliana Fortes Gris, I. C. Rodrigues da Silva, L. C. Sá-Barreto, Daniela Castilho Orsi","doi":"10.1080/10412905.2022.2103043","DOIUrl":"https://doi.org/10.1080/10412905.2022.2103043","url":null,"abstract":"ABSTRACT This study aimed to evaluate the chemical and antibacterial properties of the essential oil of B. dracunculifolia from three regions of Brazil: Midwest, Southeast and South region.   The major compounds of essential oil from Midwest region were (E)-nerolidol (28.15%) and spathulenol (17.68%), both oxygenated sesquiterpenes. And the major compounds of essential oils from Southeast and South regions were (E)-nerolidol (12.75–13.95%), bicyclogermacrene (10.76–14.21%) and limonene (10.49–19.36%). The three essential oils showed antibacterial activity for both Gram-positive and Gram-negative bacteria tested, with MIC values from 0.03 to 0.15 mg/mL and MBC values from 0.05 to 0.30 mg/mL. The B. dracunculifolia essential oil from the Midwest region of Brazil presented higher values of oxygenated sesquiterpenes and was more effective on all tested bacterial strains, with lower and statistically significant MBC values, compared to the oils from the Southeast and South regions of Brazil","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89069702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Seasonal variation of Thymus piperella L. essential oil composition. Relationship among γ-terpinene, p-cymene and carvacrol 麝香精油成分的季节变化。γ-萜烯、对伞花烃和香芹酚的关系
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-08-13 DOI: 10.1080/10412905.2022.2103191
J. Llorens-Molina, S. Vacas, Natalia Escrivá, M. Verdeguer
{"title":"Seasonal variation of Thymus piperella L. essential oil composition. Relationship among γ-terpinene, p-cymene and carvacrol","authors":"J. Llorens-Molina, S. Vacas, Natalia Escrivá, M. Verdeguer","doi":"10.1080/10412905.2022.2103191","DOIUrl":"https://doi.org/10.1080/10412905.2022.2103191","url":null,"abstract":"ABSTRACT A wild population of Thymus piperella L. was monitored for two years in order to correlate phenological stages and meteorological data with yield and, essential oil (EO) composition. The plant material was extracted by hydrodistillation and the EO was submitted to GC-MS and GC-FID analysis. To achieve reliable quantification, relative response factors were applied. The results showed a progressive increase in the proportion of carvacrol according to the sunlight duration and temperature increase, until reaching a maximum at the beginning of flowering stage (52.9 % and 41.0 % in 2018 and 2019, respectively). A simultaneous decrease was found in the amount of p-cymene (8.2 % and 12.8 % respectively) in the same stage, whereas -terpinene showed a similar evolution to that observed for carvacrol but with lower values (3.3 % - 14.6 %). From statistical analysis, significant changes in the relative proportions of carvacrol and its metabolic precursors: γ-terpinene and p-cymene were found. They have been explained based on the proposed metabolic pathways in the literature. On the other hand, when relating the changes in the EO profiles with rainfall data, a strong influence of the water supply on the evolution of the chemical composition was observed.","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76258039","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Cytotoxic activity and antioxidant effects of Origanum onites essential oil and its two major contents, carvacrol and p-cymene on human colorectal (HCT116) and hepatocelluler carcinoma (HepG2) cell lines 土豆泥精油及其两种主要成分香芹酚和对伞花素对人大肠癌(HCT116)和肝癌(HepG2)细胞的细胞毒活性和抗氧化作用
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-08-11 DOI: 10.1080/10412905.2022.2107101
E. Becer, E. M. Altundag, K. Başer, H. Vatansever, M. Bayar
{"title":"Cytotoxic activity and antioxidant effects of Origanum onites essential oil and its two major contents, carvacrol and p-cymene on human colorectal (HCT116) and hepatocelluler carcinoma (HepG2) cell lines","authors":"E. Becer, E. M. Altundag, K. Başer, H. Vatansever, M. Bayar","doi":"10.1080/10412905.2022.2107101","DOIUrl":"https://doi.org/10.1080/10412905.2022.2107101","url":null,"abstract":"ABSTRACT Origanum onites L. (O. onites) is one of the cultivated Origanum species in Turkey. The aim of this study was to determine the cytotoxicity and cellular antioxidant effects of O. onites essential oil, carvacrol and p-cymene on HCT116 and HepG2 cells. O. onites essential oil components were analyzed by GC/MS and GC/FID. Cytotoxicity was analyzed via the MTT assay in HCT116 and HepG2 cells. Cellular antioxidant activities of O. onites essential oil, carvacrol and p-cymene were determined with DCFH-DA method. GC/MS analysis identified carvacrol (%78.4) as the main constituent of O. onites essential oil. 400 µg/ml concentration of O. onites essential oil, carvacrol and p-cymene were found to be active against HCT116 and HepG2 cells. Also, carvacrol showed higher cellular antioxidant activity than O. onites essential oil and p-cymene. We conclude that O. onites essential oil and carvacrol may be a candidate for pharmaceutical products in treatment of cancer.","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-08-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74529107","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
Chemical composition, in vitro antifungal activity, DFT, molecular docking and molecular dynamics simulation studies of the essential oil from Anvillea gracinii subsp. radiata (Coss. & Durieu) Anderb 黄花百合挥发油的化学成分、体外抗真菌活性、DFT、分子对接及分子动力学模拟研究。放射虫纲(输出电容。&杜里厄·安德布
IF 3 3区 农林科学
Journal of Essential Oil Research Pub Date : 2022-08-08 DOI: 10.1080/10412905.2022.2109767
L. Oucheikh, Omar Ou-ani, Soumia Moujane, A. Ansari, A. Oubair, M. Znini
{"title":"Chemical composition, in vitro antifungal activity, DFT, molecular docking and molecular dynamics simulation studies of the essential oil from Anvillea gracinii subsp. radiata (Coss. & Durieu) Anderb","authors":"L. Oucheikh, Omar Ou-ani, Soumia Moujane, A. Ansari, A. Oubair, M. Znini","doi":"10.1080/10412905.2022.2109767","DOIUrl":"https://doi.org/10.1080/10412905.2022.2109767","url":null,"abstract":"ABSTRACT This study describes the chemical composition and the in vitro antifungal activity of the essential oil (EO) of Anvillea gracinii subsp. radiata aerial parts against three phytopathogenic using the poisoned food (PF) and the volatile assay (VA) techniques. Gas chromatography (GC) and gas chromatography/mass spectrometry (GC-MS) allowed the identification of 35 compounds which cis 8-acetoxychrysantenyl acetate (cis8ACA) (30.8%), cis-chrysanthenyl acetate (15.5%), 6-oxocyclonerolidol (14.9%) and τ-cadinol (7.4%) are the main constituents. In VA test, the minimum inhibitory concentrations (MIC) are 0.50 µL/mL for B. cinerea and P. expansum and 1.00 µL/mL for R. stolonifer, but they are 0.125 µL/mL for B. cinerea and 0.25 µL/mL for other fungi using PF technique. Molecular docking and molecular dynamics (MD) simulations revealed that cis8ACA has the smallest docking energy (-8.9 kcal.mol-1) indicating its high affinity to bind to the active site of the C14DM thereby forming a stable cis8ACA -C14DM complex.","PeriodicalId":15782,"journal":{"name":"Journal of Essential Oil Research","volume":null,"pages":null},"PeriodicalIF":3.0,"publicationDate":"2022-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79715992","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
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