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In search for more effective prophylactic and curative therapeutics against SARS-CoV-2, an ethnopharmcological approach was used to select 20 plants described in the “Arzneibuch von Hallwyl” (ABvH), an influential recipe text from 16th century Switzerland. Plants were selected based on specific historical uses possibly linked with the treatment of microbial or viral infections as well as inflammatory conditions. For each plant candidate, aqueous and hydroethanolic extracts have been produced, respectively. The prophylactic activity of extracts against SARS-CoV-2 was assessed using the CellTiter-Glo​ Luminescent Cell Viability Assay upon viral infection in vitro. Four plants showed promising activity; among them Sambucus nigra L. (leaves) and Artemisia vulgaris L. (aerial parts) showed an anti-SARS-CoV-2 potential both with an activity of≤33.3 µg/mL for their hydroethanolic extract. The findings confirm the historical traditional use in the area of infectious diseases. Accordingly, this study shows supportive evidence that an ethnopharmacological approach combined with robust in vitro methods effectively enables to screen for promising antiviral plant extracts against SARS-CoV-2.

Introduction: Sennosides are the main active constituents of the dried leaves and/or pods of Senna alexandrina Mill. that are used as laxatives. A hypothesis is that aglycones are formed during the degradation of sennosides. However, it is unknown, whether this happens under visible light exposure and how photosensitive sennosides behave in solution. Objectives: Pure anthraquinone glycosides were tested on their behaviour during sample preparation in the lab under visible light exposure in dependence on the instability of the solvent. Materials and methods: Samples before and after exposure were analysed using UHPLC with UV/Vis and MS detection. Results: Under visible light protection, the solutions were stable for 14 days at room temperature whereas a loss of 20%–60% was measured after 1 day of light exposure. The loss of sennosides due to degradation can be as fast as up to 2%–2.5% per hour, which might have a tremendous impact on phytochemical analysis results during the course of an analysis. The formation of aglycones was not observed in the degradation of sennosides and rhein-8-O-glucoside. Conclusion: Aglycones could not be found as a result of the forced degradation. The solutions of sennosides clearly need to be protected from light to obtain reliable analytical results, and light protection is a major point for the stability of liquid preparations.

Thymus vulgaris L., Salvia officinalis L. and Marrubium vulgare L. have been used traditionally in Switzerland for relieving symptoms in the upper respiratory tract. Ricola is a well-known producer of Swiss cough lozenges and herbal teas based on a traditional 13 herb mixture, which contains the aforementioned three herbs from the Lamiaceae family. In order to assess the influence of climate change on the accumulation of secondary metabolites, a primary study which involved the cultivation of the seeds of Ricola varieties of thyme, sage and horehound compared to seedlings from a commercial nursery inside a climate controlled green house as well as outdoors at 450 m elevation, was carried out. In addition, the Ricola varieties were harvested from the Ricola herb garden in Zermatt, Blatten at 1740 m altitude. The morphologies of the plants were assessed until harvest. Dried plant samples were extracted with 50% MeOH (v/v) 1:20 15 min in an ultrasonic bath and a semiquantitative analysis using HPTLC fingerprints with Neu’s reagent for flavonoids/phenolic acids in 366 nm was carried out, as well as DPPH in white light to compare radical scavenging activity of the same zones. The results show that the effect of elevated temperature averaging from 7 – 9°C on growth, morphology and metabolites is plant and accession specific. Sage and horehound exhibited more and larger zones and stronger radical scavenging activities, whereas thyme did not exhibit notable differences. The results are a first indication of how chemodiversity is influenced by elevated temperatures. Further agro-phytochemical studies over several harvest seasons are needed to assess consequences of climate change on herbs.

Glioblastoma is the most frequent primary malignant brain tumor without effective treatment, which makes this work extremely relevant. The study of the bioactive compounds from medicinal plants plays an important role in the discovery of new drugs.This research investigated the constituents of Tapirira guianensis and its antitumor potential (in vitro and in vivo) in glioblastoma. The T. guianensis extracts were characterized by mass spectrometry. The ethyl acetate partition (01ID) and its fractions 01ID-F2 and 01ID-F4 from T. guianensis showed potential antitumor treatment evidenced by selective cytotoxicity for GAMG with IC50 14.1 µg/mL, 83.07 µg/mL, 59.27 µg/mL and U251 with IC50 25.92 µg/mL, 37.3 µg/mL and 18.84 µg/mL. Fractions 01ID-F2 and 01ID-F4 were 10 times more selective when compared to TMZ and 01ID for the two evaluated cell lines. T. guianensis also reduced matrix metalloproteinases 2 - 01ID-F2 (21.84%), 01ID-F4 (29.6%) and 9 - 01ID-F4 (73.42%), ID-F4 (53.84%) activities, and induced apoptosis mainly through the extrinsic pathway. Furthermore, all treatments significantly reduced tumor size (01ID p < 0,01, 01ID-F2 p < 0,01 and 01ID-F4 p < 0,0001) and caused blood vessels to shrink in vivo. The present findings highlight that T. guianensis exhibits considerable antitumor potential in preclinical studies of glioblastoma. This ability may be related to the phenolic compounds and sesquiterpene derivatives identified in the extracts. This study deserves further in vivo research, followed by clinical investigation.

Botanical raw materials for phytopharmaceutical applications must comply with the current regulations for medicines in the EU or guidelines for herbal medicinal products in terms of quality, safety and effectiveness when placed on the market in Europe. In the EU, the legal requirements for active ingredients (API) and medicines (Herbal Medicinal Products for human use) as well as the guidelines and monographs of the Herbal Medicinal Product Committee (HMPC) as an expert committee for medicinal plant products within the EMA apply here. If extracts are used in the food sector, the safety regulations of the European Food Safety Agency (EFSA) must be considered. In both cases, genotoxicity testing is an important aspect of the safety assessment of plant extracts and their preparations. So far, the Ames test has been mandatory. In recent years it has been shown that this established test has some disadvantages. In the field of ecotoxicology, which also deals with multi-component mixtures, the suitability of the more sensitive umuC test in addition to or even instead of the Ames test is already being discussed. This poster demonstrates the application of the umuC test coupled to HPTLC (planar umuC) for assessing plant extracts and their leachables from their containers. The results of a validation study as well as S9 activation of metabolites prior to chromatography show the applicability of the novel effect directed analysis method for routine safety screening in R&D, quality control and regulatory compliance of plant derived natural health products.

Literature-based discovery (LBD) mines existing literature in order to generate new hypotheses by finding links between previously disconnected pieces of knowledge. Although automated LBD systems are becoming widespread and indispensable in a wide variety of knowledge domains, little has been done to introduce LBD to the field of natural products research. Despite growing knowledge in the natural product domain, most of the accumulated information is found in detached data pools. LBD can facilitate better contextualization and exploitation of this wealth of data, for example by formulating new hypotheses for natural product research, especially in the context of drug discovery and development. Moreover, automated LBD systems promise to accelerate the currently tedious and expensive process of lead identification, optimization, and development. Focusing on natural product research, we briefly reflect the development of automated LBD and summarize its methods and principal data sources. In a thorough review of published use cases of LBD in the biomedical domain, we highlight the immense potential of this data mining approach for natural product research, especially in context with drug discovery or repurposing, mode of action, as well as drug or substance interactions. Most of the 91 natural product-related discoveries in our sample of reported use cases of LBD were addressed at a computer science audience. Therefore, it is the wider goal of this review to introduce automated LBD to researchers who work with natural products and to facilitate the dialogue between this community and the developers of automated LBD systems.

Comfrey (Symphytum officinale L.) roots are well-known bioactive ingredients included in various cosmeceutical and pharmaceutical preparations. In this study, the influence of the post-harvest storage on the chemico-biological potential of roots collected from different European regions and stored for up to six months was investigated. Total phenolic content (TPC) and total phenolic acid content (TPAC) were spectrophotometrically estimated, whereas the levels of individual phenolic and pyrrolizidine alkaloidal markers were determined by HPLC-DAD and HPLC-MS/MS, respectively. The changes in the biological potential was tracked via antioxidant (DPPH, ABTS, CUPRAC, and FRAP) and anti-enzymatic (cholinesterase, tyrosinase, glucosidase, and amylase) assays. TPC and TPAC varied from 6.48-16.57 mg GAE/g d.w. root and from 2.67-9.03 mg CAE/g, respectively. The concentration of the four phenolics (rosmarinic acid, globoidnan A, globoidnan B, rabdosiin) and six pyrrolizidine alkaloids generally showed maximum values at 1-3 months, after which their levels significantly decreased. With respect to the bioassays, the samples showed a wide range of antioxidant and anti-enzymatic effects; however, a direct storage time-bioactivity relationship was not observed. Similar conclusions were also revealed by the multivariate and correlation analyses. Our study could improve the current knowledge of the shelf-life properties of comfrey-based products and enhance their industrial exploitation.

The crude methanolic extract obtained from Verbascum nigrum aerial parts (VNE) and its six fractions (VNF1-VNF6) were initially screened regarding their effects on the viability of immortalized HaCaT keratinocytes and A431 epidermoid carcinoma cells (MTT assay, 24 h). None of the tested samples affected the viability of HaCaT cells in a concentration range of 25-150 μg/mL. VNE and VNF4 exhibited significant cytotoxic effects in A431 cells, with IC50 values of 81.92 and 12.27 μg/mL, respectively; the selectivity index was higher than 10 for VNF4. The untargeted LC/HR-MS/MS metabolite profiling led to the tentative annotation of a total number of 23 compounds. Of these, VNE comprised mainly iridoid glycosides (harpagoside, laterioside, acylated aucubin derivatives), whereas VNF4 showed a high abundance of triterpene saponin glycosides (ilwensisaponins A and C, songarosaponins A and B), constituents known for their selective cytotoxic potential.

Ethnopharmacological relevance: Symphytum officinale L. (comfrey, Boraginaceae) has been traditionally used for millennia in joint distortions, myalgia, bone fractures and hematomas. However, key activity-determining constituents and molecular mechanisms underlying its use have not been completely elucidated. Aim of the study: The objective of this study was to isolate and identify the major compounds from a hydro-ethanolic root extract of S. officinale and evaluate their antioxidant potential, alongside their effect on the cytokine production of ex vivo stimulated neutrophils, thus providing scientific support for the traditional use of comfrey root. Material and methods: Four caffeic acid oligomers were isolated from comfrey roots by liquid-liquid chroma-tography, their structures being established by MS and NMR analyses. In vitro antioxidant evaluation was per-formed by DPPH and ABTS assays. The cytotoxicity of isolated compounds was established by flow cytometry. The effect on cytokine release, such as interleukin (IL)-1β, IL-8 and tumor necrosis factor alpha (TNF-α), in lipopolysaccharide (LPS)-stimulated neutrophils was determined by enzyme-linked immunosorbent assay (ELISA). Results: The main constituents found in comfrey root were represented by four caffeic acid oligomers, namely globoidnan B (1), rabdosiin (2), rosmarinic acid (3) and globoidnan A (4). Rabdosiin, globoidnans A and B were isolated for the first time from S. officinale. In the in vitro antioxidant tests, compound 2 was the most active, with EC50 values in DPPH and ABTS assays of 29.14 ±0.43 and 11.13 ±0.39, respectively. Neutrophils’ viability over the tested concentration domain of 12.5–50 μM was not altered. At 50 μM, all compounds significantly inhibited IL-1β release, with compound 3 (45.60% release vs. LPS stimulated neutrophils) being the most active, followed by compounds 1 (53.85%), 2 (69.89%) and 4 (60.68%). Conclusions: The four caffeic acid oligomers reported in S. officinale root

Introduction: Symphytum officinale L. (comfrey, Boraginaceae) is a cultivated or spontaneously growing medicinal plant that is traditionally used for the treatment of bone fractures, hematomas, muscle pains and joint pains. A wide range of topical preparations and dried roots for ex tempore applications are marketed in European drug stores or pharmacies. Objective: The aim of this study was to perform the qualitative and quantitative analysis of pyrrolizidine alkaloids (PAs) and phenolic compounds in the hydroethanolic extracts of 16 commercial comfrey root batches purchased from 12 different European countries. Methods: Liquid chromatography hyphenated with high-resolution tandem mass spectrometry (LC-HRMS/MS) was used for the profiling of PAs and phenolic compounds, whereas LC-MS/MS and liquid chromatography with diode array detection (LC-DAD) were used for their quantification. Results: 20 PAs (i.e. intermedine, lycopsamine, acetylintermedine, acetyllycopsamine, symphytine, symphytine-N-oxide), 17 phenolic compounds (i.e. caffeic and rosmarinic acids, rabdosiin, globoidnan A, globoidnan B) and 9 nonphenolic compounds (sugars, organic and fatty acids) were fully or partly annotated in the analysed samples. In addition, the quantitative analyses revealed that globoidnan B, rabdosiin and globoidnan A are new phenolic markers that can be used together with rosmarinic acid and PAs for the quality control of commercial comfrey root batches. Conclusions: This study brings new insights into the phytochemical complexity of S. officinale, revealing not only numerous toxic PAs, but also a significant number of valuable phenolic compounds that could contribute to the bioactivities of comfreybased preparations

Ethnopharmacological relevance The Brazilian Cerrado is a biome with a remarkable diversity of plant species, many of which are used mainly by local communities as a source of treatment to several pathologic processes, especially for the treatment of wounds. However, no systematic review exists focusing on the plants used in this respect and on the appropriate pharmacological investigations that substantiate the actions that are reported. This study revisits the traditional use of medicinal plants from the Brazilian Cerrado in the treatment of wounds and the pharmacological characteristics of the reported plant species. Methodology For the present article, previous studies on plants of the Brazilian Cerrado used for wound healing carried out between 1996 and 2018 were researched on various academic databases (PubMed, Elsevier, Springer, Lilacs, Google Escolar, and Scielo). Results A total of 33 studies were carried out on 29 plant species distributed into 18 families, mainly Fabaceae or Leguminosae (9), Bignoniaceae (2), Asteraceae (2), Euphorbiaceae (2). Considering the great diversity of Cerrado plants, only a small number of wound healing studies were carried out between 1996 and 2018. It was observed that there is a large gap between experimentation assay and traditional use. There are only few connections between the form of use by the population and the experiments conducted in the laboratory. We found that only about 12% of these studies considered to use the methodologies, or at least in parts, to obtain extracts such as those used in folk medicine. Approximately 37% of the experiments were performed using the bark as well as the same ratio for leaves, 6% using the fruits, and 9% using the seeds, roots or flowers. In several studies, there are reports of chemical constituents such as flavonoids and tannins, followed by steroid terpenes, saponins, and fatty acids, and alkaloids. However, approximately 35% of the studies did not supply information about compou

The Romanian Black Sea has abundant seaweed resources, but little effort has been done to screen their biological potential. The aim of the present study was to assess the in vitro antioxidant and antiproliferative activities of Cystoseira barbata Sargassaceae a brown alga inhbiting the costal line of Romanian Black Sea. 70% acetone, methanol and water were used for the extraction of the algal material. The antioxidant activity of C. barbata extracts was assessed by DPPH and ABTS radicals scavenging assays, reducing power and 15-lipoxygenase inhibition assays. Cytotoxic activity of the extracts was determined by MTT viability assay using three adenocarcinoma cell lines (mammary MCF-7, alveolar A549 and colorectal HT-29). The effect of the extracts in cell cycle distribution was evaluated using flow cytometry (FACS) [1],[2]. 70% acetone extract exhibited the highest antioxidant activities in all assays, with IC50 values comparable or higher than those of known antioxidants. The antitumor tests showed that 70% acetone extract had the most potent antiproliferative effects. MCF-7 was the most sensitive of all cell lines examined. FACS analysis revealed that the 70% acetone extract induced a significant increase in the subG1 fraction in MCF-7 and A549 cells, indicative of apoptosis induction. From these findings, the 70% acetone extract was investigated by HPLC-DAD-QTOF-ESI-MS/MS [3]; phlorotannins with molecular weights ranging from 375 to 870 Da were tentatively identified on the basis of their characteristic MS/MS fragmentation pattern. In conclusion, Cystoseira barbata represents an important source of bioactive compounds, with potential use in food and pharmaceutical industries.

TLC, and its modern form HPTLC, is a standard method for identification and quality control of herbals [1]. Its combination with bioassays offers simultaneous separation and screening of plant extracts and other multi-compound mixtures for active substances. The intriguing simplicity and rapidness of the method might lead to underestimation of potential artefacts, first reported by Taibon et al. for HPTLC-Tyrosinase Inhibition [2]. In assays based on cells or enzymes in hydrophilic media, high lipophilic substances prevent contact with the potentially active substance and might lead to false-positive or false-negative results. Additionally, diffusion problems from the layer to the biological assay agents can also lead to wrong interpretation of results, due to difference in the physico-chemical properties of the molecules in the sample mixture. The planar Yeast Estrogen Screen Assay (pYES) is used for detection of human estrogen receptor alpha agonists in mixtures [3]. The hER-alpha is expressing beta-galactosidase in presence of estrogenic substances. Substances with a strong blue autofluorescence at 366 nm detection and low estrogenic activity are difficult to differentiate from real estrogenic activity, when using the blue fluorescent dye 4-methylumbelliferyl-beta-D-galactopyranosid (MUG) as substarte for beta galactosidase. Results of blue fluorescing phenolic acid rich plant extracts with known estrogen activity are demonstrated and a control assay using beta-D-galactopyranoside (RGP) as substrate is proposed [4]. The poster summarizes potential artefacts from pYES and other antimicrobial assays and reviews the theoretical considerations and suggests further investigation to overcome the challenges and improve bioautographic methods.

The prevalence of obesity is increasing worldwide. Bioactive phytochemicals in food supplements are a trending approach to facilitate dieting and to improve patients' adherence to reducing food and caloric intake. The aim of this systematic review was to assess efficacy and safety of the most commonly used bioactive phytochemicals with appetite/hunger-suppressing and/or satiety/fullness-increasing properties. To be eligible, studies needed to have included at least 10 patients per group aged 18 years or older with no serious health problems except for overweight or obesity. Of those studies, 32 met the inclusion criteria, in which 27 different plants were tested alone or as a combination, regarding their efficacy in suppressing appetite/hunger and/or increasing satiety/fullness. The plant extracts most tested were derived from Camellia sinensis (green tea), Capsicum annuum, and Coffea species. None of the plant extracts tested in several trials showed a consistent positive treatment effect. Furthermore, only a few adverse events were reported, but none serious. The findings revealed mostly inconclusive evidence that the tested bioactive phytochemicals are effective in suppressing appetite/hunger and/or increasing satiety/fullness. More systematic and high quality clinical studies are necessary to determine the benefits and safety of phytochemical complementary remedies for dampening the feeling of hunger during dieting.

In the present study, robust and validated HPLC and UHPLC methods for the quantitative determination of frangulins A and B (3 and 4) and glucofrangulins A and B (1 and 2) in the bark of Frangula alnus have been developed. The HPLC method allowed the separation of the analytes in 25 min and the UHPLC method in just 13 min. The HPLC method used an MN Nucleodur C 18 125 × 4 mm column with 3 μm particles, while the UHPLC method used a Waters Acquity UPLC BEH C18, 100 × 2.1 mm column with 1.7 μm particles. Mobile phase A consisted of water and 1.25 mL/L phosphoric acid (85%), while mobile phase B consisted of CH3CN/MeOH (20:80). The flow rates were set to 1mL/min for the HPLC method and 0.4 mL/min for the UHPLC method, with the column temperature held at 50°C and the detection wavelength being 435 nm for either method. A fractional factorial design was used to check the robustness of the methods. The resolution of the analytes was never less than 1.5 when the factors were varied in the tested range. The conditions for ultrasonic extraction were optimized by response surface methodology and found to be 68% CH 3 CN in the extraction solvent, 35°C extraction temperature, and a duration of 25 min. The extraction procedure was determined to be very robust against small deviations of these factors.

Introduction: The current Ph. Eur. monographs for senna pods, senna leaf and senna leaf dry extract standardised describe a photometric assay based on the Bornträger reaction to determine hydroxyanthracene glycosides, calculated as sennoside B. The method is timeconsuming, unspecific for sennosides and the precision is not adequate for a modern assay. Aim: The photometric method shall therefore be replaced by a modern HPLC method. About 70 % of the total anthrachinone content in herbal drugs of senna species is due to sennoside A and sennoside B. These substances are therefore suitable for the standardisation of Senna products. The Japanese Pharmacopoeia (JP) already describes an HPLC method to determine sennoside A and sennoside B in the monograph for senna leaf. It uses ion-pair chromatography with tetraheptylammoniumbromide. The procedure described in the monograph has a runtime of 70 min. Method: The adapted and validated method described here uses solid-phase extraction (SPE) which allows a selective sample preparation by using an anion exchange phase. A conventional RP C18 column Tosh TSKgel ODS-80TS (4.6 mm × 150 mm), 5 μm, was used as stationary phase and acetonitrile for chromatography R, water R, phosphoric acid R (200:800:1 V/V/V) as mobile phase. The flow rate was 1.2 mL/min, the column temperature 40°C, the detection wavelength 380 nm, and the injection volume 20 μL. The runtime is 10 min, the chromatogram shows 2 peaks due to sennoside A/B and 2 additional smaller compounds. One of them is rhein-8-O-glucoside. Results: The procedure has been successfully validated according to ICH guidelines. We analysed 6 batches of Senna. The pods (Senna angustifolia) showed a total content of sennoside A and B of 1.74-2.76% m/m and the content of senna leaves was clearly lower with 1.07-1.19% m/m, respectively. Conclusion: The suggested method is considered to be suitable to determine sennoside A and sennoside B in senna leaves and senna pods. The consideration is b

Maqui, Aristotelia chilensis (Mol.) Stuntz, Elaeocarpaceae, is a berry with one of the highest antioxidantactivities known, and which is exploited from the wild as raw material for nutraceutical products. Thepresent work studies factors that might affect fruit quality in further industrial processing and proposesHPTLC fingerprint methods for routine quality control of metabolites and radical scavengers. Polyphenoland anthocyanin concentrations in fruit were determined in cultivated maqui. Polyphenol concentrationdid not vary significantly during the ripening process, but differed from one growing season to another(2.1 and 2.8 g GAE/100 g dry weight). Anthocyanin concentration increased during maturation from 0.07to 1.13 g Cy-3-glu/100 g dry weight, whereas antioxidant ORAC value remained stable (194-241 molTE/g DW). Anthocyanins were concentrated only in the fleshy parts of ripe fruits (4.2 g Cy-3-glu/100 gDW), while other polyphenols were found in the seeds (2.1 g GAE/100 g DW). Polyphenol and anthocyanincontents did not decrease during desiccation, cooling or freezing processes. Desiccation approximatelydoubled sugar contents, from 24.5◦Brix in fresh to 50◦Brix in dry fruit. Frozen fruit retained their solublesolids content and anthocyanins, while polyphenols increased.

Cell aggregate lines of Artemisia alba were selected and developed in liquid cultures: ER_3 [0.1 mg/l N 6-benzyladenine (BA) + 1.5 mg/l indole-3-butyric acid (IBA)] and ER_3_NAA [0.1 mg/l BA + 1.5 mg/l naphtylacetic acid (NAA)], grown in the dark, gyratory shaker, 100 rpm; ER_3_hν and ER_3_NAA_hν were grown in the same conditions, but at 16/8h photoperiod. Spectrophotometric assay of the total phenolic and flavonoid compounds was performed and the samples were also tested by HPTLC analysis with chlorogenic acid, as well as 1,3-, 1,5-, 3,5-, 3,4- and 4,5-dicaffeoylquinic acids, scopoletin and fraxidin-8-glucoside as reference compounds. The analysis showed general similarity in the tested samples. Photoperiod, however seemed to have an influence on glucosylation of the samples. While dark grown suspensions exhibited biosynthesis of both the aglycons (scopoletin and fraxidin) as well as their respective glucosides (scopolin and fraxidin glucoside), the 16/8 photoperiod suspensions produced predominantly the glucosylated derivatives. These data were confirmed also by the UHPLC analysis. 3,5-dicaffeoylquinic acid was the predominant component in all samples. In terms of endogenous cytokinin production, a significant drop of their levels was observed in suspensions, where NAA represented the exogenously added auxin. The latter samples were also characterized by a significant stimulation of polyphenolics, comparable to those produced by the differentiated shoot cultures of the plant. The obtained results are of practical interest for the targeted biotechnological delivery of scopoletin and fraxidin, which represent a higher phytopharmacological potential as compared with their glucosylated derivatives.

Supplementation with natural estrogens, known as phytoestrogens are desirable for the treatment of women suffering from climacteric complaints after menopause. However, in patients with hormone-dependent cancers, such as specific types of breast cancer, the intake of phytoestrogens may be contraindicated, since some compounds are claimed to trigger the formation of metastasis-initiating cancer cells [1]. HPTLC is an analytical tool in quality control of medicinal plants extracts. Separated compounds from multicompound extracts are fixed on the solid silica phase like a compound library. By direct coupling of the Yeast Estrogen Screen (YES) on the HPTLC plate, this compound library can also be used for screening of estrogenic activity. The reporter gene YES assay encoding the human estrogen receptor alpha (ERα) was adapted for the screening of Trifolium pratensis L. and Cimcifuga racemosa L. extracts and formulations [2,3]. The method is rapid and simple with no need for special sample preparation. Excipients such as microcrystalline cellulose, carboxymethylcellulose or polyvinyl pyrrolidone did not interfere with the method. In samples of T. pratensis, pronounced fluorescent zones of Genistein and Biochanin A could be identified, indicating estrogen receptor affinity. The half maximal effective concentration (EC50) of Genistein and Biochanin A was 2.13 and 3.34 ng, respectively. Cimicifugin showed weak estrogenic activity visible as fluorescent zones at applied masses of 4 µg. However, no ERα affinity was detected in C. racemosa samples. Formononetin interacted with ERα but was not detected in C. racemosa samples or commercial products. [1] Virk-Baker MK, Nagy TR, Barnes S. Planta medica 2010; 76: 1132 – 1142. [2] McDonnell DP, Nawaz Z, O'Malley BW. Mol Cell Biol 1991; 11: 4350 – 4355. [3] McDonnell DP, Nawaz Z, Densmore C, Weigel NL, Pham TA, Clark JH, O'Malley BW. J Steroid Biochem Mol Biol 1991; 39: 291 – 297.

Ten new sesquiterpene alcohols of which seven germacranes, a eudesmane, a guaiane and an oplopane were isolated from the aerial parts of Artemisia alba Turra. Their structures and relative stereochemistry were elucidated by spectral methods (1H and 13C NMR, COSY, HSQC, HMBC, NOESY, and MS). In addition, the known 7-hydroxycadin-4-en-3-one, centaureidin and axillarin were found for the first time in the studied species.

In this study, clove essential oil (CL) or eugenol (EU) containing cellulose acetate (CA) or acrylic component/hydrophobically modified starch (AC/S) coatings on corona treated oriented polypropylene film (OPP) were designed and investigated for their possible applications as antioxidant packaging materials for fresh meat. The antioxidant properties of the coatings were investigated by Vapour Phase-DPPH (2,2-diphenyl-1-picrylhydrazyl) assay. The CA coatings containing CL or EU showed 43-92% and 43-94% inhibition against DPPH free radicals through the vapour phase, respectively, whereas AC/S/CL and AC/S/EU coatings resulted in DPPH inhibition of 21-65% and 25-84%, respectively. AC/S/EU and CA/EU coatings on OPP containing from 0.32 ± 0.03 to 6.40 ± 0.14 g/m2 of EU were used to prepare packaging for fresh beef (Longissimus thoracis). After 14 days, the lipid oxidation in beef steaks kept in control and antioxidant packages was 3.33 and 1.00-1.22 mg of malondialdehyde per kilogram of meat, respectively. Moreover, red colour of beef in antioxidant packages was retained.

Bioactivity assessment requires test systems, which are often representative for phenomena in the human body or other target organisms, like microbes. They involve the acquisition of signals, mainly spectrophotometric, or luminometric, in parallel experiments (e.g., microtitre plates) from different concentrations of the test samples and the comparison to blanks and positive controls. In such complex settings, computational aids are needed for the handling, storage, sorting, and visualization of the data and to help to apply suitable mathematical or statistical models to interpret and evaluate the findings and correlate data sets and signals of different origins. In the case of bioactivity assessment of natural products, the complexity of the multicompound mixture in natural extracts and fractions requires computational tools on different levels of the scientific challenge, such as text and data mining, in silico screening by target-ligand docking, as well as chemometrics and multivariate data analysis.