Phytochemical Profiling and Pharmacological Evaluation of Leaf Extracts of Ruellia tuberosa L.: An In Vitro and In Silico Approach

The present study was designed to appraise the photoprotective, antioxidant, and antibacterial bioactivities of Ruellia tuberosa leaves extracts (RtPE, RtChl, RtEA, RtAc, RtMe, and RtHMe). The results showed that, RtHMe extracts of R. tuberosa was rich in total phenolic content, i. e., 1.60 mgGAE/g dry extract, while highest total flavonoid content was found in RtAc extract, i. e., 0.40 mgQE/g. RtMe showed effective antioxidant activity (%RSA: 58.16) at the concentration of 120 μL. RtMe, RtEA and RtHMe exhibited effective in vitro antibacterial activity against Gram-negative bacteria (E. coli). In silico docking studies revealed that paucifloside (−11.743 kcal/mol), indole-3-carboxaldehyde (−7.519 kcal/mol), nuomioside (−7.275 kcal/mol), isocassifolioside (−6.992 kcal/mol) showed best docking score against PDB ID 2EX8 [penicillin binding protein 4 (dacB) from Escherichia coli, complexed with penicillin-G], PDB ID 6CQA (E. coli dihydrofolate reductase protein complexed with inhibitor AMPQD), PDB ID 2Y2I [Penicillin-binding protein 1B in complex with an alkyl boronate (ZA3)] and PDB ID 2OLV (from S. aureus), respectively. Docked phytochemicals also showed good drug likeness properties.     

Chemical Composition and Antioxidant,Antiparasitic, Cytotoxicity and Antimicrobial Potential of the Algerian Limonium Oleifolium Mill. Essential Oil and Organic Extracts

This work aimed to investigate, for the first time, the chemical composition, antioxidant, antiparasitic, cytotoxicity, and antimicrobial activities of the aromatic plant Limonium oleifolium Mill. essential oil (EO) and organic extracts. L. oleifolium aerial parts essential oil was analyzed by GC-FID and GC-MS, and 46 constituents representing 98.25±1.12 % of the oil were identified. γ-Muurolene (10.81±0.07 %), cis-caryophyllene (7.71±0.06 %), o-cymene (7.07±0.01 %) and α-copaene (5.02±0.05 %) were the essential oil main compounds. The antioxidant activity of L. oleifolium EO and organic extracts (MeOH, CHCl₃, AcOEt, BuOH) was explored using 2,2-diphenyl-1-picrylhydrazyl (DPPH), ABTS, β-carotene/linoleic acid, cupric reducing antioxidant capacity (CUPRAC), and ferric reducing power assays. The results showed that L. oleifolium EO exhibit antioxidant capacity (IC₅₀=17.40±1.32 μg/mL for DPPH assay, IC₅₀=29.82±1.08 μg/mL for β-carotene assay, IC₅₀=25.23±1.01 μg/mL for ABTS assay, IC₅₀=9.11±0.08 μg/mL for CUPRAC assay and IC₅₀=19.41±2.06 mg/mL for reducing power assay). Additionally, the EO showed significant activity against trophozoite form of Acanthamoeba castellanii (IC₅₀=7.48±0.41 μg/mL) and promastigote form of Leishmania amazonensis (IC₅₀=19.36±1.06 μg/mL) and low cytotoxicity on murine macrophages (LC₅₀ 90.23±1.09 μg/mL), as well as good antimicrobial activity against Staphylococcus aureus, Escherichia coli, Klebsiella oxytoca, and Pseudomonas aeruginosa. These results suggest that L. oleifolium essential oil is a valuable source of bioactive compounds presenting antioxidant, antiparasitic, and antimicrobial activities. Furthermore, it is considered nontoxic.     

Chemical Composition and Antioxidant Activity of Essential Oil of Chinese Propolis

The chemical composition and in vitro antioxidant activity of the essential oil of propolis (EOP) collected from 25 locations in China was investigated. Steam‐distillation extraction was used to extract the EOP, and chemical composition was identified by GC/MS. The antioxidant activities of EOP were also measured. The result showed that a total of 406 compounds were detected in EOP. The major compounds of Chinese EOP were cedrol, γ‐eudesmol, benzyl alcohol, phenethyl alcohol, 2‐methoxy‐4‐vinylphenol, 3,4‐dimethoxystyrene and guaiol. Principal component analysis revealed the significant correlation between EOP compositions and their origins, and certain correlation was detected between EOP and their color. Linear discriminant analysis showed that 88 % and 84 % of the propolis samples were predicted correctly as the groupings identified by climatic zone and the color, respectively. Furthermore, the differences of antioxidant activities of EOP were significant. EOP of Shandong had the strongest antioxidant activities, whereas EOP of Guangdong, Yunnan and Hunan showed the poorest.     

In Vitro Antibacterial Efficacy of Cymbopogon flexuosus Essential Oil against Aeromonas hydrophila of Fish Origin and in Silico Molecular Docking of the Essential Oil Components against DNA Gyrase-B and Their Drug-Likeness

In aquaculture, diseases caused by the Aeromonads with high antibiotic resistance are among the most common and troublesome diseases. Application of herbs is emerging as a tool in controlling these diseases. Plant extracts besides disease control, favor various physiological activities in fish. In this study, essential oil of Cymbopogon flexuosus (Poaceae family) was studied in vitro for its antibacterial efficacy against two oxytetracycline (OTC) resistant and one sensitive strains of Aeromonas hydrophila. The oil was found rich (86.93 %) in oxygenated terpenoids containing 74.15 % of citral. The oil exhibited dose dependent growth inhibition of the bacteria. Mean MIC value of the oil against the sensitive strain was recorded as 2.0 mg mL⁻¹ whereas MBC value was recorded as 4.0 mg mL⁻¹. The oil was found effective against the OTC resistant isolates with the MIC and MBC values ranging from 2.67–3.33 and 4.0–6.67 mg mL⁻¹, respectively. In silico molecular docking of the essential oil components against DNA gyrase-B, a vital macromolecule in bacterial cell, was carried out to computationally asses the efficacy of the oil against the bacteria. Some of the components of the essential oil strongly bonded with the enzyme to inhibit its efficacy. Binding energy of some components of the oil was comparable to that of the conventional antibiotic, OTC. The identified phytochemicals exhibited favorable physicochemical and pharmacokinetic properties and satisfied the rule of five (Ro5).     

Chemical Composition and Cytotoxic Evaluation of the Essential Oil of Phyllogonium viride (Phyllogoniaceae,Bryophyta)

The present study aimed to determine the chemical composition and biological activity of the essential oil obtained from Phyllogonium viride Brid. (Phyllogoniaceae, Bryophyta), whose samples were collected in southern Brazil. For the first time, the cytotoxic activity of the essential oil of P. viride in breast and colorectal tumor cells (MCF-7 and HCT-116) was evaluated, as well as the cytotoxic potential of this oil in non-tumoral cells of human immortalized keratinocytes (HaCaT) via MTT assay. The compounds majorly found in P. viride essential oil were β-bazzanene (20.30 %), β-caryophyllene (17.06 %), β-chamigrene (14.02), and germacrene B (11.72 %). Treatment with P. viride essential oil in the different tested cell lines did not induce any toxicity in most of the tested concentrations. These data contribute to generating new scientific information about this understudied plant species. Furthermore, the chemical characterization of the compounds present in the essential oil of P. viride can lead to greater elucidation of its biotechnological potential.     

GC/MS Profiling,In Vitro and In Silico Pharmacological Screening and Principal Component Analysis of Essential Oils from Three Exotic and Two Endemic Plants from Mauritius

The chemical and pharmacological profiles of essential oils (EOs) hydrodistilled in yields of 0.03–0.77 % (w/w) from three exotic (Cinnamomum camphora, Petroselinum crispum, and Syzygium samarangense) and two endemic (Pittosporum senacia subsp. senacia and Syzygium coriaceum) medicinal plants were studied. GC-MS/GC-FID analysis of the EOs identified the most dominant components to be myristicin (40.3 %), myrcene (62.2 %), 1,8-cineole (54.0 %), β-pinene (21.3 %) and (E)-β-ocimene (24.4 %) in P. crispum, P. senacia and C. camphora, S. samarangense and S. coriaceum EOs, respectively. All EOs were found to possess anti-amylase (0.70–1.50 mM ACAE/g EO) and anti-tyrosinase (109.35–158.23 mg KAE/g) properties, whereas no glucosidase inhibition was displayed. Only Syzygium EOs acted as dual inhibitors of both acetyl- and butyryl-cholinesterases, while P. senacia and C. camphora EOs inhibited acetylcholinesterase selectively and P. crispum EO was inactive (AChE: 4.64–4.96 mg GALAE/g; BChE: 5.96 and 7.10 mg GALAE/g). Molecular docking revealed 1,8-cineole to present the best binding affinities with butyrylcholinesterase, amylase and tyrosinase, while both myristicin and β-pinene with acetylcholinesterase and finally β-pinene with glucosidase. In vitro antioxidant potency was also demonstrated in different assays (DPPH: 13.52–53.91 mg TE/g, ABTS: 5.49–75.62 mg TE/g; CUPRAC: 45.38–243.21 mg TE/g, FRAP: 42.49–110.64 mg TE/g; and phosphomolybdenum assay: 82.61–160.93 mM TE/g). Principal component analysis revealed the EOs to differ greatly in their bioactivities due to their chemodiversity. This study has unveiled some interesting preliminary pharmacological profiles of the EOs that could be explored for their potential applications as phytotherapeutics.     

Chemical Composition and Allelopathic,Phytotoxic and Pesticidal Activities of Atriplex cana Ledeb. (Amaranthaceae) Essential Oil

The chemical composition and allelopathic, phytotoxic and pesticidal activities of Atriplex cana Ledeb . (Amaranthaceae) essential oil were investigated. Nineteen compounds were identified via GC/MS, representing 82.3 % of the total oil, and the most abundant constituents were dibutyl phthalate (21.79 %), eucalyptol (20.14 %) and myrtenyl acetate (15.56 %). The results showed that volatile organic compounds (VOCs) released by A. cana significantly inhibited seedling growth of Amaranthus retroflexus L. and Poa annua L., and 80 g of fresh stems and leaves of A. cana in a 1.5 L airtight container almost completely suppressed the seed germination of both plants. Meanwhile, 5 μg/mL essential oil completely inhibited the seed germination of A. retroflexus, Medicago sativa L., P. annua and Echinochloa crusgalli L. Pesticidal testing revealed that the essential oil had strong behavioral avoidance and lethal effects on Aphis pomi DeGeer . Five microliters of essential oil/Petri dish treatment resulted in an 84.5 % mortality rate after 12 h, and the mortality rate reached nearly 100 % after 48 h. This report is the first one on the chemical composition as well as the biological activity of the essential oil of A. cana, and our results indicate that the oil is valuable in terms of being further exploited as a bioherbicide/insecticide.     

Chemical Composition,Antibacterial Screening and Cytotoxic Activity of Chiliadenus antiatlanticus (Asteraceae) Essential Oil

The chemical composition and in vitro antibacterial and cytotoxic activities of the essential oil (EO) of Chiliadenus antiatlanticus (Emb. & Maire) Gómiz, an asteraceous species endemic to the southwest of Morocco, were investigated. The EO yield was 1.07±0.28 %, twenty-seven metabolites were identified representing more than 96.4 % of the total composition. Camphor (35.7 %) and derivatives, borneol (4.9 %) and camphene (4.2 %) together with intermedeol (19.9 %), α-pinene (15.5 %) and (E)-pinocarveol (4.1 %) were the major constituents. An antibacterial activity was noticed against 24 strains (all Gram-positive) out of 71 at MICs values=100 μg/mL. The EO also showed significant toxicity towards liver HepG2 (55.8 % of cell viability) and melanoma B16 4A5 (41.6 % of cell viability) tumor cell lines at 100 μg/mL.     

Secondary Metabolites Generated from Saussurea lappa and Ligusticum sinensis Essential Oils by Microwave-Assisted Hydrodistillation: in Silico Molecular Docking and in Vitro Antibacterial Efficacy

In the current study, both the essential oil composition and biological activity of Saussurea lappa and Ligusticum sinensis were investigated by means of microwave-assisted hydrodistillation (MAHD) and characterized by Gas chromatography/mass spectrometry (GC/MS), whereas the antimicrobial efficiency of MAHD essential oils was examined against four pathogens: Staphylococcus aureus, Escherichia coli, Aspergillus niger, and Candida albicans responsible for microbial infections. The goal was to spot synergy and a favorable method that gives essential oils to possibly use as alternatives to common antimicrobial agents for the treatment of bacterial infections using a microdilution assay. S. lappa's 21 compounds were characterized by MAHD extraction. Sesquiterpene lactones (39.7 % MAHD) represented the major components, followed by sesquiterpene dialdehyde (25.50 % MAHD), while L. sinensis's 14 compounds were identified by MAHD extraction. Tetrahydroisobenzofurans (72.94 % MAHD) was the predominant compound class. S. lappa essential oil collection showed the strongest antimicrobial activity with MIC values of 16 μg/ml against all pathogens tested, while L. sinensis showed strong antibacterial activity and moderate antifungal activity with MIC values of 32 μg/ml and 500 μg/ml, respectively. The principal components of both oils, (velleral, eremanthin and neocnidilide), were docked into the bacterial histidine kinase (HK) and the fungal heat shock protein 90 (Hsp90).     

玫瑰精油的化学成分及其抗菌活性

通过水蒸汽同步蒸馏法提取玫瑰精油,采用GC-MS方法分析了玫瑰精油的化学组成,共鉴定出其中14个化学成分并测定其相对含量,占总含量的95.25%。香茅醇为玫瑰精油的主要成分,相对含量为90.37%。体外抑菌实验表明,玫瑰精油除对黑曲霉没有抗菌活性外,对其它7种供试菌均具有不同程度的抑制作用,其中对表皮葡萄球菌、金黄色葡萄球菌和大肠杆菌的最小抑菌浓度(MIC)为0.063%(v/v),对枯草芽孢杆菌、变形杆菌和白色念珠菌的最小抑菌浓度（MIC）为0.125%(v/v),而对绿脓杆菌(Pseudomonas aeruginosa)的抗菌活性相对较弱,MIC为0.5%(v/v)。抑菌直径结果也表明了玫瑰精油除对黑曲霉、绿脓杆菌的抗菌活性较弱外,对其它6种菌株的抑菌直径都大于8.5 mm。考察了玫瑰精油对3种敏感菌株包括金黄色葡萄球菌(革兰氏阳性菌)、大肠杆菌(革兰氏阴性菌)和白色念珠菌(真菌)的杀菌动态过程,为玫瑰精油的应用提供了理论依据。     

长瓣马铃苣苔挥发油化学成分分析

采用水蒸气蒸馏法提取了长瓣马铃苣苔的挥发油,采用气相色谱-质谱联用法对该挥发油的化学成分进行了分离鉴定,共鉴定出32种化合物,占挥发油总量的80.81%,其主要成分为棕榈酸(35.49%)、11,14-二十碳二烯酸乙酯(23.06%)和1-烯-3-辛醇(5.58%)。     

蕈树叶芳香精油成分分析及其抗氧化活性研究

为了解蕈树叶芳香精油化学组分及抗氧化活性,采用气相色谱-质谱联用技术(GC-MS)结合Kovats保留指数(K I)比较的方法对其进行了成分分析,并运用二种体外方法对其抗氧化活性进行了测定。结果表明蕈树叶精油以倍半萜烯类为主(占62.39%),主要特征成分为双环大根香叶烯(10.71%)、(E)-丁香烯(9.96%)和α-依兰油烯(8.92%)。该精油具有中等程度的自由基清除活性和抗脂质过氧化活性。其抗氧化活性可能与精油中的酚类物质5-羟基白菖莆烯(2.97%)以及醇类物质1-表橙椒醇(3.12%)和(Z)-白檀油烯醇(2.12%)等化合物有关。     

Study on the Composition and Physiological Activity of the Essential Oils and Extracts of Cinnamomum camphora Fruit

Supercritical carbon dioxide (SC-CO₂), hydrodistillation (HDO), ethanol extraction (EE), and petroleum ether extraction (PE) were used to extract the essential oil and extracts of Cinnamomum camphora fruit in this study. Gas chromatography-mass spectrometry was used to identify the volatile components of essential oils and extracts, and 63 compounds were identified. 2,2-Diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical scavenging assay and Ferric reducing ability of plasma (FRAP) assays and the inhibition experiment of bacteria and fungi (Staphylococcus aureus (S. aureus), Hay bacillus (H. bacillus), Escherichia coli (E. coli), Aspergillus niger (A. niger), Candida albicans (C. albicans)) showed these essential oils and extracts indicated antioxidant and antibacterial activities. S. aureus was the most sensitive to the essential oil (MIC=0.08 mg/ml). Combined with the Brine Shrimp Lethality Test (BSLT) experiment, HDO (LD₅₀=68.21 μg/ml) was considered to have the most potential natural preservative. Subsequently, the inhibitory mechanism of HDO on bacteria and fungi was explored through extracellular conductivity and SEM, and the possibility of HDO to preserve the freshness of bananas was verified through banana shelf-life experiments. The results suggested these essential oils and extracts of Cinnamomum camphora fruit indicated effectively inhibit the growth of microorganisms on the surface of bananas, extend the shelf-life, and have the potential to become a natural antiseptic ingredient.     

香茅精油的抑菌和抗氧化活性研究

选用产自福建厦门的香茅(Cymbopogon nardus),测定香茅精油对白色粘性沙雷氏菌、红色粘性沙雷氏菌、大肠杆菌、金黄葡萄球菌、铜绿假单胞菌和紫色杆菌等6种菌的抑菌活性,并利用ABTS^.+自由基清除法以及超氧阴离子清除法研究香茅精油的抗氧化活性。结果表明,新鲜香茅精油的平均提取率为0.29,对6种供试菌种都有较高的抑制作用,其中对紫色杆菌的抑制活性最强,且香茅精油有极高的清除ABTS^.+自由基以及超氧阴离子自由基的能力,证明香茅精油具有广谱抑菌活性及强抗氧化活性。     

Chemical Composition and in Vitro Antioxidant,Anti-Alzheimer,Anti-Diabetic,Anti-Tyrosinase,and Antimicrobial Properties of Essential Oils and Extracts Derived from Various Parts of the Algerian Calendula Suffruticosa Vahlsubsp. boissieri Lanza

Calendula suffruticosa Vahl subsp. boissieri Lanza is well-known for its medicinal properties in northeastern Algeria. As far as literature has been able to prove, no study has attempted to make a phytochemical or biological activity evaluation (antioxidants, enzyme inhibitors and antimicrobial potential). This work intends to evaluate, for the first time, the chemical constituents and study the previously mentioned biological activities of C. suffruticosa boissieri essential oil and different sections (flowers, leaves, roots) as well as the effect of changing the solvent (ethanol 70 %) and (methanol 70 %) on these activities. The essential oil of aerial parts of this plant was investigated using GC/MS, and 45 compounds were discovered, accounting for 98.01 % of the essential oil, including 23 monoterpenes, 6 sesquiterpenes, 12 diterpenes, 1 coumarin, 3 alkanes, methyl-cyclohexane (23.73 %), limonene (25.02 %), and o-cymene (13.20 %). Five methods were used to study the antioxidant activity (ABTS, DPPH, CUPRAC, reducing power, and β-carotene bleaching assay), where the results were impressive, especially for the essential oil. In addition, the hydroethanolic solvent (70 %) was found to be the most effective solvent for extraction in general compared to the hydromethanolic solvent (70 %). The extracts and essential oils of C. suffruticosa boissieri also showed a strong inhibiting ability against cholinesterase, tyrosinase, anti-α-amylase, α-glucosidase, and antimicrobials, a very valuable antioxidant, which is a real discovery. Based on these results, it can be said that this plant has important biological activities, so it can be used in the phytotherapy, food, or pharmaceutical sectors.     

密花香薷挥发油化学成分及其抗菌、抗病毒活性的研究

采用水蒸气蒸馏法提取密花香薷挥发油,测得密花香薷挥发油的得率为0.12％.利用气相色谱-质谱(GC-MS)联用技术对密花香薷挥发油的化学成分进行了分析研究,鉴定了26种化合物,占挥发油总量的76.04％.体外抗菌试验和抗病毒试验的结果表明:密花香薷挥发油具有抗菌和抗病毒作用.     

紫苏叶精油化学成分分析研究

用GC -MS对紫苏叶精油进行分析鉴定 ,结果表明 :紫苏叶精油中主要化学成份为甲基紫苏酮 ,其质量分数为 5 7.5 1%。     

海南暗罗叶挥发油化学成分及其抗菌活性(英文)

本文采用水蒸气蒸馏萃取法提取海南暗罗叶挥发油化学成分,利用气相色谱-质谱(GC-MS)从中分离鉴定出40种化学成分,占挥发油总量的67.03%。其中主要成分为1-甲基-5-亚甲基-8-(1-甲基乙基)-1,6-二烯环十烷(18.305%),丁子香烯(6.256%)和γ-榄香烯(6.211%)。所得的挥发油抑菌试验表明其对大肠杆菌和枯草芽孢杆菌表现出显著的抑制活性。     

Composition,Chemical Variability and Biological Activity of Cymbopogon schoenanthus Essential Oil from Central Algeria

Cymbopogon schoenanthus (L.) Spreng . (Poaceae) is an aromatic plant whose aerial parts and rhizome produced an essential oil with pleasant odor. A chemical variability has been observed depending of the countries where the plant grows wild, including Algeria. The chemical compositions of 24 oil samples isolated from plants harvested in Central Algeria have been investigated, to evidence homogeneity or chemical variability within a given area of harvest. Twenty of these were dominated by cis‐ and trans‐p‐menth‐2‐en‐1‐ols (22.6 %±3.6 and 14.3 %±1.7, resp.) beside four atypical compositions. Otherwise, aerial parts and rhizomes produced similar essential oils. Lastly, a fair antimicrobial activity was measured against Staphylococcus aureus strain, while the antioxidant potential was low.