<i>Artemisia vulgaris</i>L. Chemotypes

Artemisia vulgaris L. was collected from various regions in the USA and Montreal Canada. Gas Chromatography-Mass Spectrometry was used to identify the analytes present in the volatiles extracted by headspace solid-phase microextraction of the crushed leaves and flowers. Four distinct chemotypes are were found: One featuring the coexistence of ar-curcumene and α-zingiberene;two marked by the presence or absence of thujone and santolinatriene;and a fourth characterized by the presence of crysanthenyl acetate (40%). DNA was used to confirm the identity of Artemisia vulgaris L.

Lamiaceae Peppermint Oil with Surfactant Showing Equal Antifungal Activity against <i>Candida albicans</i>to Rosemary Chemotype CINEOL

Oral candidiasis causes pain in oral cavity or tongue. Antifungal drugs are commonly used for the treatment of candidiasis, however, there could be several problems such as side effects, drug resistance, or contraindication to concomitant use with drugs already taken. The development of substituting antimicrobial agents, which could be used internally or as gargling agents, is expected. Some essential oils have been known for the activities against microbes. We focused on the three chemotype essential oils from rosemary and five essential oils from Lamiaceae plants including rosemary, and examined their antifungal activity against Candida albicans by broth microdilution method. The activity with or without addition of Tween 80 or Tween 20 was statistically analyzed. Minimal inhibitory concentration (MIC) values of the essential oils were significantly decreased when either of the two surfactants was added. Among the tested oils, only CAMPHOR, a rosemary chemotype, showed a significantly lower MIC with addition of Tween 20 than Tween 80. It is inferred that the antifungal activity of essential oils is influenced by the type of surfactants. Some of the essential oils showed the same values of MIC and the minimal fungicidal concentration (MFC) when surfactant was added. Peppermint showed the same MICs and MFCs in most cases, and its low MFC indicated potent fungicidal activity against C. albicans, as observed in CINEOL. We will discuss peppermint oil as one of the potential candidates for antifungal agents against C. albicans.

Antifungal activity of chemotype essential oils from rosemary against <i>Candida albicans</i>

Oral candidiasis is caused by Candida albicans. The symptoms including pain in the oral cavity affect our eating function. While some antifungal agents are commonly used for the treatment of candidiasis, occasional consumption of the effective dose cannot be tolerated due to side effects. There is also a possibility of induction of antifungal resistance, thus the development of replacement agents has been awaited. We aim to explore antimicrobial activities of essential oils. We evaluated the antifungal activities against C. albicans of essential oils from seven aromatic plants from three manufacturers, and of three chemotype essential oils from rosemary (Rosmarinus officinalis). As a result, we found that the antifungal activity was increased several times by the addition of Tween 80. All the tested essential oils showed stable antifungal activity, however, the variation was observed among the manufacturers of rosemary and eucalyptus. Rosemary has three chemotypes;CINEOL, CAMPHOR and VERBENON. They derived from a same plant species, but contain different chemical components. The CINEOL, dose-dependently decreased the number of C. albicans in the time-kill assay. Hence we concluded that the components of rosemary essential oil would have an effect on its antifungal activity. A chemotype is the first to consider in measuring antifungal activities of rosemary oil.

Comparative Analysis of the Essential Oil of the Underground Organs of Valeriana spp. from Different Countries

Valeriana officinalis L.is a plant from the Caprifoliaceae family,which is widely distributed in various parts of the world,especially in Europe and Asia.All species of Valeriana are distinguished by their ability to synthesize essen-tial oil,which has a powerful effect on the physiological and mental aspects of the human body.The aim was to study the qualitative and quantitative composition of essential oil from valerian roots,collected in different coun-tries,using the gas chromatography method,and to establish marker compounds for valerian species.13 samples of commercial roots with rhizomes of V.officinalis from nine countries of the world and a sample of Valeriana pratensis and Valeriana stolonifera growing in Ukraine were selected for the study.The essential oil was obtained from dried valerian roots by the distillation method described in the European Pharmacopoeia.To determine the component composition of the essential oils of the selected samples,the methods of gas chromatography with a mass spectrometric detector and capillary gas chromatography were used.The commercial samples of V.offici-nalis from different countries yielded 0.21%–1.03%of essential oil.Only six of 13 samples contained essential oil in an amount that satisfies the requirement of the European Pharmacopoeia standard(not less than 4 mL/kg).150 compounds were identified in the essential oils of 13 samples of V.officinalis essential oils.The range and average content and coefficients of variation of the identified compounds were determined.The principal com-pounds of V.officinalis essential oils were bornyl acetate(1.6%–27.1%),valeranone(0.5%–17.9%),valerenal(0%–14.7%),camphene(0%–14.6%),α-fenchene(0%–10.6%),and valerenic acid(0%–8.5%).The samples of V.pratensis and V.stolonifera yielded rather high levels of essential oil(1.18%and 0.93%,respectively).Three chemotypes of V.officinalis samples were determined-bornyl acetate/valerenal,valeranone,and isovaleric acid.The composition of the three essential oils compared was rather similar.Based on the study results,we propose the following marker compounds for V.officinalis consistently present in all 16 examined samples:bornyl acetate(1.6%–27.1%),limonene(0.2–2.3),and valeranone(0.5%–17.9%).The study of samples from Ukraine indicates the prospects of using these species of the genus Valeriana with the aim of expanding the raw material base and creating potential herbal preparations with a sedative effect,which are extremely necessary for the population of the country in the war and post-war periods.

Variation in the Composition of the Essential Oil of Commercial Salvia officinalis L.Leaves Samples from Different Countries

Salvia officinalis L.(Lamiaceae)leaves and its essential oil is used for mouth and throat disorders,skin disorders,minor wounds,and gastrointestinal disorders,and is widely used worldwide.The research aimed to conduct a comparative study of the composition of S.officinalis essential oils from commercial samples,and their main chemotypes.The volatile constituents from S.officinalis leaves were investigated using gas chromatography(GC).The commercial samples of sage leaves were obtained from retail pharmacies in nine mainly European countries.The yield of essential oil in S.officinalis commercial leaves was between 10.0 and 24.8 mL/kg.The principal components(>5%)among the main identified 25 compounds were 1,8-cineole(8.3%–45.3%),α-thujone(3.0%–34.0%),сamphor(11.3%–29.3%),β-thujone(1.5%–12.9%),viridiflorol(1.1%–10.4%),camphene(2.6%–7.1%),andα-pinene(1.3%–5.8%).In seven(Estonia,England,France,Hungary,Belgium,Ukraine,Georgia)samplesα-thujone dominated.Four samples(Estonia,Georgia,England,Hungary)belong to the most common chemotypeα-thujone>camphor>1,8-cineole.Eight chemotypes of S.officinalis essential oils have been found.Toxic thujones are widespread compounds among them.

Comparing Ginsenoside Production in Leaves and Roots of Wild American Ginseng (<i>Panax quinquefolius</i>)

American ginseng, Panax quinquefolius L., is an herbaceous perennial species that is destructively harvested for its bioactive compounds called ginsenosides. The demand for this herb fosters illegal poaching and over-harvesting that reduces genetic variability and population viability. Five wild populations in western North Carolina were studied to better understand the production of ginsenosides in leaf and root tissues. Total ginsenoside concentration was significantly higher in leaves than roots, though total yield was higher in roots due to greater root biomass. However, some ginsensosides (Rb2, Rd and Re) had higher or more consistent yields in leaves than roots, so might be developed into a sustainable source of these medicinally-active compounds. Additionally, we identified regional root chemotypes that differed in the production of the ginsenosides Rg1 and Re and could be developed into regional cultivars depending on the desired panel of ginsenosides.

Phytochemical composition of the essential oil of different populations of Stachys lavandulifolia Vahl

Objective:To examine the chemical variability in inflorescences of wild populations of Stachys lavandulifolia Vahl(S.lavandulifolia)collected throughout two provinces(lsfahan and Chaharmahal va Bakhtiary),Southwest Iran.Methods:The essential oils of S.lavandulifolia Vahl from seven locations were obtained by hydro-distillation and analysed by gas chromatography and gas chromatography-mass spectrometry.Results:The results revealed that distinct differences in the content of compounds depending on region of sample collection.The main constituents of the essential oils wereα-thujone(0.3%-32.3%),α-pinene(trace to 37.3%),myrcene(0.5%-15.9%),β-phellandrene(1.1%-37.9%),germacrene D(0.4%-11.3%),△-cadinene(trace to 11.6%)and 1,4-methano-1 H-indene(trace to 10.1%).Conclusions:The results of the present study indicated that essential oil components of S.lavandulifolia Vahl can be varied with genetic(ecotype),environmental conditions and geographic origin,In general,the essential oils of various populations of S.lavandulifolia Vahl were rich in monoterpenoids and sesquiterpenoids.

Diversity in chemical compositions of essential oil of myrtle leaves from various natural habitats in south and southwest Iran

Myrtle, Myrtus communis L. （Myrtaceae）, an evergreen shrub also known as wild myrtle, has a history of use as a culinary and medicinal plant. To determine the diversity within the species, plant leaves of myrtle were collected in 12 natural habitats in Iran for investigation of chemical constituents in the essential oil. Extraction of the essential oils produced yields ranging from 0.7 to 1.5 mL per 100 g dry tissue. An analysis of the oils by GC and GC/MS revealed 40 compounds, constituting 90.1-99.9 % of the essential oils. Chemical constituents varied with the site of sample origin, although the principal essential oil compo- nents from all populations, were pinene （17.5-37.1%）, 1,8-cineole （9.9-29.8 %）, linalool （7.0-23.1%）, and a-ter- pineol （5.3-8.3 %）. Limonene （tr, 22.7 %） was a major constituent in three populations. Characterized chemotypes included Chemotype pinene/1,8-cineole/linalool, Chemotype II： a-pinene/linalool, Chemotype III： a-pinene/1,8- cineole, and Chemotype IV： pinene/1,8-cineole/limonene.The main source of variabifity in chemical composition and oil yield appeared to be differences in environmental conditions and chemotypes as plant populations collected from close geographical areas could be classified in a cluster.

Chemo-Divergence in Essential Oil Composition among Thirty One Core Collections of <i>Ocimum sanctum</i>L. Grown under Sub-Tropical Region of Jammu, India

Evaluation of thirty one core collections of Ocimum sanctum L. synonyms O. tenuiflorum L. collected from different ecological regions representing contrasting environment of India was carried out. All the collections were grown under sub-tropical region of Jammu, India. Study revealed wide range of variability in quantitive and qualitative attributes of oil. Essential oil content ranged between 0.16% ± 0.01% - 0.55% ± 0.08% showing the presence of fifteen constituents. Methyl eugenol (1.54% - 93.16%) and Eugenol (0.06% - 70.41%), were the major constituent. The other major constituent of the oil was β-Caryophyllene (4.60% - 33.77%) which was detected in almost all the collections. Borneol, Copane, α Caryophyllene were other constituents detected in almost all the accessions. α selinene was detected in traces in only three accessions (OS-01, OS-03, OS-50) and β-selinene was detected in four accessions (OS-01, OS-03, OS-50, OS-72. Accession OS-70 collected from Patna, showed distinct chemical profile having β-Elemene (32.81%), β-Cary- ophyllene (16.37%), Germacrene-D (18.05%), β-Ocimene (17.69%) and Copane (5.738%). Being distinct in oil profiling, Patna collection was designated as distinct chemotype. Collections OS-50 from Gwalior from Central India and OS-59 from Rajkot Western India have been identified as methyl eugenol (93.16%) and eugenol (70.41%) rich geno- types. The data collected provided useful information with respect to composition of essential oil among core collection evaluated representing various agro-climatic zones.

Effect of Fusariosis on the Metabolism of Phenolics Compounds of Date Palm Leaflets, Resistant and Sensitive to the Disease

Because of socio-economic importance of date palm in North Africa, the scientific community has always followed the progression of parasitic disease that affects it. The study was performed on population of thirty palm trees belonging to three cultivars of the oases of south-west Algeria TOUAT Gourara. The analytical protocol consists of a hot hydrochloric acid hydrolysis of I g of leaf material dried and ground. Structural analysis of compounds present in extracts was conducted by chromatographic and spectrophotometric techniques. Through the analysis of all HPLC profiles of phenolic acids, we have established three chemotypes： resistant with the highest heights, sensitive, with the lowest height, finally low sensitivity or tolerant with intermediate heights. The increased synthesis of C-glycoflavones, within diseased palms, can be seen as the first sign of plant response to fungal attack, or even as a defense mechanism so these flavonoids correspond to ＂pre-inhibitines＂. It has not been found qualitative differences between different cultivars studied. The merits of our work show a negative correlation between flavonoid content and the level of lignification in the date palm, suggests that the process of lignification is more rapid in resistant cultivars. We can say that there is a constitutive resistance.

Phytochemical Characterization of the Essential Oils Obtained from Mediterranean Thymus spp. （Lamiacea） Harvested at Different Stages of Growth

To prove more information on the chemical composition of the essential oils of Thymus taxa collected in different Algeria areas, and to determine the effect of harvesting periods on the composition of these essential oils： three Thymus species （T. numidicus, T.ciliatus and T. algeriensis） were collected during two periods of development, the EOs （essential oils） obtained by steam distillation of the aerial parts were analyzed by GC/MS （gas chromatography coupled with mass spectrometry）. During the pre-flowering stage, the RP% （relative percentage） of Eos varied between 1.00% and 1.34% for all the species. The content of EOs increased during the flowering stage and reached particularly 2.10% and 2.85% for T. numidicus （from Berrahal） and T. numidicus （from Tacha）, respectively. GC/MS analysis showed that these oils are very rich in oxygenated monoterpenes group （76.96%-82.11%） when the plants were harvested during the flowering stage of growth. Thymol was the major compound in the EOs contained in T. numidicus （Berrahal） and T. ciliatus with more than 39% and 54%, respectively. Thymus numidicus （Tacha） and T. algeriensis EOs were characterized by high content in p-cimene-7-ol （78.06% and 26.98%, respectively）. These two chemotypes （thymol and p-cimene-7-ol） are considered as antioxidant and antimicrobial agents providing the basis for many applications in processed food preservation and pharmaceutical products.

Drug Design of "Undruggable" Targets

Drug innovation is not only reflected in the discovery of new chemotypes of active compounds against existing targets but also more dependent on the innovation of drug targets. Currently, a number of attractive and validated targets could not be targeted pharmacologically. Some have been described as "un druggable''.In this review, we summarized the curre nt situatio n of "undruggable" targets, and the desig n strategies for "un druggable" targets, hoping to provide references for the development of innovative drugs.

High-Throughput Chemotyping of Cannabis and Hemp Extracts Using an Ultraviolet Microplate Reader and Multivariate Classifiers

As the use of Cannabis products as natural medicines burgeons,it is also appearing as a food ingredient.It is important to screen Cannabis samples as ingredients by profiling their chemical compositions,which is referred to as chemotyping.Two sets of botanical extracts were studied.The first set is referred to as Cannabis contained plant materials from 15 samples of the sativa,indica,and hybrids of the two species.The second set contained 20 extracts from the variety of Cannabis sativa with low tetrahydrocannabinol(THC)concentrations,i.e.,below 0.3%,and,henceforth,will be referred to as hemp.An ultraviolet(UV)microplate reader provides a cost-effective and high-throughput method for identifying chemotypes of plant extracts by their spectra.The microplate reader affords rapid measurements of small volumes,e.g.,50μL,which demonstrates a potential to significantly reduce the analysis time and cost for Cannabis and hemp chemotyping or chemi-cal profiling.Replicate samples were measured on different days to demonstrate the robustness of the method.Projected difference resolution(PDR)maps were used to visualize the separations among the classes.Five multivariate classifiers,fuzzy rule-building expert system(FuRES),super partial least squares-discriminant analysis(sPLS-DA),support vector machine(SVM),and two tree-based support vector machines(SVMtreeG and SVMtreeH)were evaluated.The classifiers were validated with ten bootstrapped Latin partitions(BLPs).For the Cannabis extracts,the SVMtreeG yielded the best performance and the classification accuracy was 99.1±0.4%for spectra collected in the nonlinear absorbance range.For the hemp extracts,the SVM classifier performed the best with a 97.4±0.6%classification accuracy.These results demonstrate that the UV microplate reader coupled with multivariate classifiers can be used as a high-throughput and cost-effective approach for chemotyping Cannabis.