Production of exopolysaccharide from Klebsiella oxytoca: Rheological, emulsifying, biotechnological properties, and bioremediation applications.

Bacteria can synthesize a broad spectrum of multifunctional polysaccharides including extracellular polysaccharides (EPS). Bacterial EPS can be utilized in the food, pharmaceutical, and biomedical areas owing to their physical and rheological properties in addition to generally presenting low toxicity. From an ecological viewpoint, EPS are biodegradable and environment compatible, offering several advantages over synthetic compounds. This study investigated the EPS produced by Klebsiella oxytoca (KO-EPS) by chemically characterizing and evaluating its properties. The monosaccharide components of the KO-EPS were determined by HPLC coupled with a refractive index detector and GC-MS. The KO-EPS was then analyzed by methylation analysis, FT-IR and NMR spectroscopy to give a potential primary structure. KO-EPS demonstrated the ability to stabilize hydrophilic emulsions with various hydrophobic compounds, including hydrocarbons and vegetable and mineral oils. In terms of iron chelation capacity, the KO-EPS could sequester 41.9 % and 34.1 % of the most common iron states, Fe2+ and Fe3+, respectively. Moreover, KO-EPS exhibited an improvement in the viscosity of aqueous dispersion, being proportional to the increase in its concentration and presenting a non-Newtonian pseudoplastic flow behavior. KO-EPS also did not present a cytotoxic effect indicating that the KO-EPS could have potential applications as a natural thickener, bioemulsifier, and bioremediation agent.

Antioxidant Activity, Antiproliferative Activity, Antiviral Activity, NO Production Inhibition, and Chemical Composition of Essential Oils and Crude Extracts of Leaves, Flower Buds, and Stems of Tetradenia riparia.

The chemical composition of extracts (CEs) and essential oils (EOs) from Tetradenia riparia leaves, flower buds, and stems was analyzed. Antiproliferative activity against tumor cell lines, NO production inhibition, and antioxidant and antiviral activities were assessed. The CEs contained flavonoids, phenolic acids, coumarins, and saturated fatty acids. The EOs included monoterpenes, oxygenated sesquiterpenes, and diterpenes. NO production inhibition ranged from 76 to 247 µg mL-1, and antiproliferative activity exhibited GI50 between 20 and >204 µg mL-1, with low cytotoxicity (SI: 1.08 to 4.75). Reactive oxygen species inhibition ranged from 45 to 82%. Antioxidant activity varied when determined by the 2,2-diphenyl-1-picrylhydrazyl radical scavenging assay (IC50: 0.51 to 8.47 mg mL-1) and ferric reducing antioxidant power (0.35 to 0.81 µM ferrous sulfate per mg). The reduction in ß-carotene-linoleic acid co-oxidation varied between 76.13 and 102.25%. The total phenolic content of CEs and EOs was 10.70 to 111.68 µg gallic acid mg-1. Antiviral activity against herpes simplex virus type 1 (HSV-1) showed an EC50 between 9.64 and 24.55 µg mL-1 and an SI between 8.67 and 15.04. Leaf EOs exhibited an EC50 of 9.64 µg mL-1 and an SI of 15.04. Our study unveils the diverse chemical composition and multifaceted pharmacological properties of T. riparia, demonstrating its potential as a valuable source of bioactive compounds for therapeutic applications.

Bioactives of the essential oil from the leaves of Eugenia pyriformis Cambess (Myrtaceae) on the effects of tobacco.

Introduction: Lung cancer is the most commonly diagnosed and the main cause of cancer death, usually related to cigarette smoking. Furthermore, the microbiota of people exposed to cigarette smoke can be modified, making it difficult to eliminate opportunistic microorganisms. The leaves of Eugenia pyriformis are a by-product of fruit production and, to date, there have been no studies addressing the antiproliferative, anti-inflammatory, and antimicrobial activities. Objective: Investigate the antimicrobial, Nitric Oxide (NO)-production inhibition, and antiproliferative activities of the essential oil from E. pyriformis leaves and its possible effect on the treatment and prevention of damage caused by tobacco. Methods: The essential oil (EO) was obtained by hydrodistillation (3 h). Its chemical composition was investigated by GC-MS. It was proposed to investigate antiproliferative activity against human tumor cell lines, namely, breast adenocarcinoma (MCF-7), lung (NCI-H460), cervical (HeLa), and hepatocellular (HepG2) carcinomas. A non-tumor primary culture from pig liver (PLP2) was also tested. The EO capacity to inhibit nitric oxide (NO) production was evaluated by a lipopolysaccharide stimulated murine macrophage cell line. Antibacterial and antifungal activities against opportunistic pathogens were investigated against seven strains of bacteria and eight fungi. Results: The results indicated the presence of 23 compounds in the essential oil, the majority were spathulenol (45.63%) and ß-caryophyllene oxide (12.72%). Leaf EO provided 50% inhibition of nitric oxide production at a concentration of 92.04 µg mL-1. The EO also demonstrated antiproliferative activity against all human tumor cell lines studied, with GI50 values comprised between 270.86 and 337.25 µg mL-1. The essential oil showed antimicrobial potential against the bacteria Listeria monocytogenes (Murray et al.) Pirie (NCTC 7973) and Salmonella Typhimurium ATCC 13311 (MIC 1870 µg mL-1) and fungi Aspergillus versicolor ATCC 11730, Aspergillus ochraceus ATCC 12066, Penicillium ochrochloron ATCC 90288, Penicillium verrucosum var. cyclopium (Westling) Samson, Stolk & Hadlok (food isolate) (MIC 1870 µg mL-1) and Trichoderma viride Pers. IAM 5061 (1,400 µg mL-1). Conclusion: The demonstrated anti-inflammatory, antiproliferative, and antimicrobial activities in the leaves of E. pyriformis can add value to the production chain of this plant, being a possible option for preventing and combating cancer, including lung cancer.

Pachira aquatica: biological activity and chemical composition of leaves, flowers, and seeds.

The chemical composition of Pachira aquatica crude extracts flowers, leaves, and seeds was obtained by UHPLC-ESI/qTOF and GC/MS. The antiproliferative activity was evaluated against the human tumour cell lines AGS (gastric), CaCo-2 (colorectal), MCF-7 (breast), and NCI-H460 (lung). The anti-inflammatory and cellular antioxidant activities were also studied. Flavonoids, phenolic acids, coumarins, and saturated fatty acids were identified in the samples. The concentration of extracts responsible for inhibiting 50% of nitric oxide production ranged from (149 to > 400 µg mL-1). Antiproliferative activity against the tumour cell lines was: AGS (GI50 175 to > 400 µg mL-1), Caco-2 (GI50 215 to > 400 µg mL-1), MCF7 (GI50 232 to > 400 µg mL-1) and NCI-H460 (GI50 208 to > 400 µg mL-1). Cellular antioxidant activity remained between 73% to > 2000%. The selectivity index (SI) ranged from 1.00 to 2.78, indicating low antiproliferative activity.

Biotechnological, Nutritional, and Therapeutic Applications of Quinoa (Chenopodium quinoa Willd.) and Its By-Products: A Review of the Past Five-Year Findings.

This study aimed to provide an updated critical review of the nutritional, therapeutic, biotechnological, and environmental aspects involved in the exploitation of Chenopodium quinoa Willd and its biowastes. Special attention was devoted to investigations of the therapeutic and nutritional properties of different parts and varieties of quinoa as well as of the use of the biowaste resulting from the processing of grain. Studies published from 2018 onward were prioritized. Extracts and fractions obtained from several Chenopodium quinoa matrices showed antioxidant, antidiabetic, immunoregulatory, neuroprotective, and antimicrobial effects in in vitro and in vivo models and some clinical studies. The activities were attributed to the presence of phytochemicals such as polyphenols, saponins, peptides, polysaccharides, and dietary fibers. Quinoa wastes are abundant and low-cost sources of bioactive molecules for the development of new drugs, natural antioxidants, preservatives, dyes, emulsifiers, and carriers for food and cosmetics applications. Among the demands to be fulfilled in the coming years are the following: (1) isolation of new bioactive phytochemicals from quinoa varieties that are still underexploited; (2) optimization of green approaches to the sustainable recovery of compounds of industrial interest from quinoa by-products; and (3) well-conducted clinical trials to attest safety and efficacy of extracts and compounds.

Discovery of Lead 2-Thiazolylhydrazones with Broad-Spectrum and Potent Antifungal Activity.

Opportunistic fungal infections represent a global health problem, mainly for immunocompromised individuals. New therapeutical options are needed since several fungal strains show resistance to clinically available antifungal agents. 2-Thiazolylhydrazones are well-known as potent compounds against Candida and Cryptococcus species. A scaffold-focused drug design using machine-learning models was established to optimize the 2-thiazolylhydrazone skeleton and obtain novel compounds with higher potency, better solubility in water, and enhanced absorption. Twenty-nine novel compounds were obtained and most showed low micromolar MIC values against different species of Candida and Cryptococcus spp., including Candida auris, an emerging multidrug-resistant yeast. Among the synthesized compounds, 2-thiazolylhydrazone 28 (MIC value ranging from 0.8 to 52.17 µM) was selected for further studies: cytotoxicity evaluation, permeability study in Caco-2 cell model, and in vivo efficacy against Cryptococcus neoformans in an invertebrate infection model. All results obtained indicate the great potential of 28 as a novel antifungal agent.

Cellular Antioxidant, Anti-Inflammatory, and Antiproliferative Activities from the Flowers, Leaves and Fruits of Gallesia integrifolia Spreng Harms.

Gallesia integrifolia, a notable species in the Atlantic Forest, has been traditionally employed in folk medicine for treating rheumatism, asthma, and worms. This study investigated the cellular antioxidant, antiproliferative, and anti-inflammatory activities of the essential oils (EOs) and crude extracts (CEs) from G. integrifolia flowers, fruits, and leaves. The chemical identification of EOs was performed by GC-MS and CEs by UHPLC-MS. Cellular antioxidant and anti-inflammatory activities were assessed through mouse macrophage cell culture. In addition, the antiproliferative potential was evaluated in gastric, colorectal, breast, and lung tumor cell lines and non-tumor VERO cells. EOs predominantly contained organosulfur compounds in flowers (96.29%), fruits (94.94%), and leaves (90.72%). We found the main compound is 2,2'-Disulfanediyldiethanethiol in the EOs of flowers (47.00%), leaves (41.82%), and fruits (44.39%). Phenolic compounds were identified in CEs. The EOs and CEs demonstrated potential against the tumor cell lines tested (GI50 between 51 and 230 µg/mL). The selectivity index values were greater than 1.0 (1.01 to 3.37), suggesting a relative safety profile. Moreover, the anti-inflammatory activity IC50 ranged from 36.00 to 268 µg/mL, and the cellular oxidation inhibition ranged from 69% to 82%. The results suggest that oils and extracts derived from G. integrifolia have potential for use in various industrial sectors.

Valorization of Campomanesia xanthocarpa leaves: chemical composition and antioxidant activity of crude extract and fractions / Valorización de hojas de Campomanesia xanthocarpa: composición química y actividad antioxidante de extracto crudo y fracciones

Campomanesia xanthocarpa leaves are a byproduct of fruit production without studies on antioxidant activity. Thus, this study aimed to identify the antioxidant compounds of C. xanthocarpaleaves by ultra-high performance liquid chromatography coupled with electrospray ionization-quadrupole-time of flight-mass spectrometry (UHPLC-ESI/qTOF) and by different in vitro antioxidant methods. The crude extract of C. xanthocarpa leaves had a yield of 15.2% and only five out of 37 fractions of the crude extract had antioxidant activity. The crude extract presented greater antioxidant activity than the isolated fractions. The identified antioxidant compounds were phenolic acids (gallic acid and chlorogenic acid), flavonoids (quercetin and naringenin 7,4'-dimethoxy) and an organic acid (quinic acid). Leaves of C. xanthocarpa have high concentration of antioxidant compounds and it is a promising plant for the development of applications in the food, cosmetic, and pharmaceutical fields. The extraction of antioxidant compounds can add value to the productive chain of this plant.

Las hojas de Campomanesia xanthocarpa son un subproducto de la producción de frutos sin estudios sobre la actividad antioxidante. Así, este estudio tuvo como objetivo identificar los compuestos antioxidantes de las hojas de C. xanthocarpa mediante cromatografía líquida de ultra alta resolución acoplada con espectrometría de ionización-cuadrupolo-tiempo de vuelo-masa por electropulverización (UHPLC-ESI / qTOF) y mediante diferentes métodos antioxidantes in vitro. El extracto crudo de hojas de C. xanthocarpa tuvo un rendimiento del 15,2% y solo cinco de las 37 fracciones del extracto crudo tuvieron actividad antioxidante. El extracto crudo presentó mayor actividad antioxidante que las fracciones aisladas. Los compuestos antioxidantes identificados fueron ácidos fenólicos (ácido gálico y ácido clorogénico), flavonoides (quercetina y naringenina 7,4'-dimetoxi) y un ácido orgánico (ácido quínico). Las hojas de C. xanthocarpa tienen una alta concentración de compuestos antioxidantes y es una planta prometedora para el desarrollo de aplicaciones en los campos alimentario, cosmético y farmacéutico. La extracción de compuestos antioxidantes puede agregar valor a la cadena productiva de esta planta.

Activity of essential oils from leaves, flower buds and stems of Tetradenia riparia on Rhipicephalus (Boophilus) microplus larvae.

Around the world, the main problems of livestock are caused by ectoparasites, however, commercial acaracide are toxic to the environment and detrimental to One Health. Therefore, research has increasingly focused on development of natural products as alternatives for tick control. The purpose of this study was to evaluate the larvicidal effect on Rhipicephalus (Boophilus) microplus, through use of essential oils (EOs) extracted from the leaves, flower buds and stems of Tetradenia riparia. The chemical composition of these EOs was determined through gas chromatography coupled to mass spectrometry (GC-MS). They were tested on larvae at concentrations of 100.000 to 40 µg/mL, using the larval packet test and under semi-natural conditions. The main class of compounds in the chemical composition was sesquiterpenes (both oxygenates and hydrocarbons), whereas the predominant compounds in the leaves, flower buds and stems were 14-hydroxy-9-epi-caryophyllene, T-cadinol and 6-7-dehydroroyleanone, respectively. The leaves proved to be the most effective, with highest larvicidal activity (LC99.9 = 83.53 µg/mL). When tested under semi-natural conditions, the oils obtained efficiency above 98% in all compound tests. The results indicated that these EOs were effective against R. (B.) microplus larvae in vitro and ex-situ, proving that this plant has bioactive molecules with significant larvicidal activity.

Effects of dredging activities and seasonal variation on coastal plankton assemblages: results from 10 years of environmental monitoring.

Coastal zones support the most productive marine ecosystems, yet they are increasingly threatened by anthropogenic stressors such as dredging. In this study, we investigated how seasonal variation and dredging activities conducted during the construction of a harbor and submarine base (Sepetiba Bay, RJ, Brazil) affected the phytoplankton and zooplankton assemblages. The observed temporal variability at five different sites over 10 years revealed that dredging exceeds the expected influence of dry and rainy seasons on plankton abundance and diversity. In general, the abundance of both groups increased during dredging due to the resuspension of nutrients and benthic organisms. This increase was particularly evident in the dinoflagellate Scrippsiellaa cuminata, the diatoms Thalassiosira rotula and Nitzschia longissima, and the herbivorous zooplankton Acartia clausii and Pseudevadne tergestina. Moreover, season and dredging activities synergistically influenced plankton assemblages, resulting in larger seasonal variations during dredging activities. After the end of the harbor construction, plankton abundance decreased and remained low until the end of the monitoring, which may indicate persistent changes in the biodiversity and ecosystem functioning of impacted areas.

Evaluation of Probiotic Properties of Novel Brazilian Lactiplantibacillus plantarum Strains.

Beneficial effects of Lactiplantibacillus plantarum strains have been widely reported. Knowing that the effects of probiotic bacteria are strain-dependent, this study aimed to characterize the probiotic properties and investigate the gastrointestinal protective effects of nine novel L. plantarum strains isolated from Bahia, Brazil. The probiotic functionality was first evaluated in vitro by characterizing bile salt and acidic tolerance, antibacterial activity, and adhesion to Caco-2 cells. Antibiotic resistance profile, mucin degradation, and hemolytic activity assays were also performed to evaluate safety features. In vivo analyses were conducted to investigate the anti-inflammatory effects of the strains on a mouse model of 5-Fluorouracil-induced mucositis. Our results suggest that the used L. plantarum strains have good tolerance to bile salts and low pH and can inhibit commonly gastrointestinal pathogens. Lp2 and Lpl1 strains also exhibited high adhesion rates to Caco-2 cells (13.64 and 9.05%, respectively). Phenotypical resistance to aminoglycosides, vancomycin, and tetracycline was observed for most strains. No strain showed hemolytic or mucolytic activity. Seven strains had a protective effect against histopathological and inflammatory damage induced by 5-FU. Gene expression analysis of inflammatory markers showed that five strains upregulated interleukin 10 (Il10), while four downregulated both interleukin 6 (Il6) and interleukin 1b (Il1b). Additionally, all strains reduced eosinophilic and neutrophilic infiltration; however, they could not prevent weight loss or reduced liquid/ food intake. Altogether, our study suggests these Brazilian L. plantarum strains present good probiotic characteristics and safety levels for future applications and can be therapeutically adjuvant alternatives to prevent/treat intestinal mucositis.

Potential of Tetradenia riparia leaf essential oil and its fractions in controlling Aedes aegypti and Rhipicephalus microplus larvae

Tetradenia riparia (Hochst.) Codd (Lamiaceae) is a shrub, commonly known as ginger bush or false myrrh, and several studies have shown that T. riparia exhibits a variety of biological properties. This study aimed to determine the chemical composition of T. riparia essential oil and its fractions, investigate their anticholinesterase activity, and assess their larvicidal activity against the cattle tick Rhipicephalus microplus and the mosquito Aedes aegypti. Eleven essential oil fractions were obtained by fractionation and analyzed by gas chromatography/mass spectrometry. Larvicidal activity against R. microplus and third-instar A. aegypti was assessed using a larval packet test and a larval immersion test, respectively. Anticholinesterase activity was determined by a bioautographic method. Forty-nine compounds were identified in the essential oil, of which the major classes were oxygenated sesquiterpenes (45.95%) and sesquiterpene hydrocarbons (35.20%) and the major components were isospathulenol (17.40%), ß-caryophyllene (15.61%), 14-hydroxy-9-epi-caryophyllene (10.07%), 14-hydroxy-α-muurolene (8.32%), and 9ß,13ß-epoxy-7-abietene (5.53%). Bioassays showed that T. riparia essential oil (LC50 = 1.56 µg/mL) and FR3 (LC50 = 0.30 µg/mL) were the most active against R. microplus and A. aegypti larvae, respectively. The essential oil and FR1, FR2, and FR3 exhibited acetylcholinesterase inhibitory activity. These results indicate that T. riparia essential oil and its fractions hold promise in the development of novel, environmentally safe agents for the control of R. microplus and A. aegypti larvae.

Activity of essential oils from leaves, flower buds and stems of Tetradenia riparia on Rhipicephalus (Boophilus) microplus larvae / Atividade dos óleos essenciais das folhas, botões florais e caules de Tetradenia riparia sobre as larvas de Rhipicephalus (Boophilus) microplus

Around the world, the main problems of livestock are caused by ectoparasites, however, commercial acaracide are toxic to the environment and detrimental to One Health. Therefore, research has increasingly focused on development of natural products as alternatives for tick control. The purpose of this study was to evaluate the larvicidal effect on Rhipicephalus (Boophilus) microplus, through use of essential oils (EOs) extracted from the leaves, flower buds and stems of Tetradenia riparia. The chemical composition of these EOs was determined through gas chromatography coupled to mass spectrometry (GC-MS). They were tested on larvae at concentrations of 100.000 to 40 µg/mL, using the larval packet test and under semi-natural conditions. The main class of compounds in the chemical composition was sesquiterpenes (both oxygenates and hydrocarbons), whereas the predominant compounds in the leaves, flower buds and stems were 14-hydroxy-9-epi-caryophyllene, T-cadinol and 6-7-dehydroroyleanone, respectively. The leaves proved to be the most effective, with highest larvicidal activity (LC99.9 = 83.53 µg/mL). When tested under semi-natural conditions, the oils obtained efficiency above 98% in all compound tests. The results indicated that these EOs were effective against R. (B.) microplus larvae in vitro and ex-situ, proving that this plant has bioactive molecules with significant larvicidal activity.(AU)

Os principais problemas para a pecuária estão relacionados às ectoparasitoses, e ao fato dos carrapaticidas apresentarem elevada toxicidade ao meio ambiente e à saúde única. Surgem, então, demandas na busca por inovações e desenvolvimento de produtos naturais, como alternativas para o controle dos carrapatos. O objetivo deste trabalho foi avaliar o potencial da atividade larvicida sobre Rhipicephalus (Boophilus) microplus a partir dos óleos essenciais de Tetradenia riparia (TrOEs) extraídos das folhas, botões florais e caules. A composição química foi determinada por cromatografia gasosa acoplada à espectrometria de massa (GC/MS). Os TrOEs foram testados sobre larvas nas concentrações de 100.000 a 40 µg/mL pelo teste de pacote de larvas e em condições seminaturais. Na composição química, a classe majoritária foi os sesquiterpenos (oxigenados e hidrocarbonetos); já os compostos em destaques foram 14-hidroxy-9-epi-caryophyllene, T-cadinol e 6-7-dehidroroyleanone para folhas, botões florais e caules, respectivamente. As folhas demonstraram ser mais eficientes e com maior poder larvicida (CL99.9 = 83.53 µg/mL). Quando testado em condições seminaturais os óleos obtiveram eficiência acima de 98% em todos os compostos testados. Os resultados indicaram que os TrOEs, foram eficazes sobre as larvas de R. (B.) microplus in vitro e ex-situ, evidenciando que esta planta possui moléculas bioativas com ação larvicidas significativas.(AU)

Biopharmaceutical evaluation of kavain in Piper methysticum G. Forst dried extract: Equilibrium solubility and intestinal permeability in Caco-2 cell model.

ETHNOPHARMACOLOGICAL RELEVANCE: Piper methysticum G. Forst, popularly known as kava, is a traditional medicinal plant native from South Pacific islands and widely used to treat anxiety, depression and stress. The psychoactive properties are related to the kavalactones, mainly kavain. AIM OF THE STUDY: To evaluate the biopharmaceutical properties of synthetic kavain and when present in kava dried extracts by means of equilibrium solubility and intestinal permeability studies in the Caco-2 cell model. MATERIALS AND METHODS: The equilibrium solubility of kavain was performed using a shake flask incubator at 37 °C in different media at physiological pH range (1.2-6.8). The intestinal permeability of kavain evaluated in Caco-2 cells in the presence and absence of the P-glycoprotein inhibitor verapamil. Kavain concentrations were determined by reversed phase high performance liquid chromatography (HPLC). RESULTS: HPLC methods were developed and fully validated for kavain quantitation. Kavain demonstrated low solubility and the pH of the aqueous media did not affect its solubility. Kavain was found to be highly permeable and efflux of kavain mediated by P-glycoprotein was not significant during intestinal permeation. CONCLUSION: The results of biopharmaceutical studies provided useful information for predicting availability of kavain from the gastrointestinal tract and this compound was ranked as BCS Class II, exhibiting dissolution rate-limited absorption.

Chemical analysis, antifungal and antimycotoxigenic activity of tetradenia riparia essential oil and crude extract.

Tetradenia riparia is known for its richness in essential oil which has been widely investigated due to its biological activities such as antimicrobial, insecticidal, trypanocidal, antimalarial and antioxidant. The objective of this work was to chemically analyze and evaluate the antifungal and antimycotoxigenic activity of the essential oil and the crude extract of leaves, flower buds and stems of T. riparia from the northwest region of the state of Paraná. The essential oil was obtained by hydrodistillation using a Clevenger-type apparatus. To obtain the crude extract, the leaves, flower buds and stems were pulverized and subjected to a dynamic maceration process using 70% v v-1 ethyl alcohol. Chemical analysis of the essential oil was performed by GC/MS, and chemical identification of the crude extract by UHPLC-ESI/qTOF. Antifungal activity (Rhizopus oryzae, Aspergillus flavus, Aspergillus ochraceus, Penicillium verrucosum and Fusarium graminearum) was performed by broth microdilution and the antimycotoxigenic assay was performed with A. ochraceus and P. verrucosum. Ochratoxin A was extracted by partition with chloroform and quantified by HPLC-FL. The oil yield was 0.29% for leaves, 0.34% for stems and 0.38% for flower buds, and the major compounds were fenchone, ß-caryophyllene, α-cadinol, 14-hydroxy-9- epi-caryophyllene, 9ß,13ß-epoxy-7-abietene, α-cadinol and 6-7-dehydroroyleanone. The main chemical compounds identified in the crude extract were terpenes, anthocyanins, flavonoids, tannins and phenolic acids. The minimum inhibitory concentration (MIC) of oils from leaves, flower buds and stems for the strains tested ranged from 0.87 mg mL-1 to 33.3 mg mL-1, while the minimum fungicidal concentration (MFC) ranged from 6.94 mg mL-1 and 33.3 mg mL-1. The MIC and MFC for ketoconazole, tebuconazole, sorbate and nitrite ranged from 0.05 to 33.3 mg mL-1. The oil and crude extract of leaves, stems and flower buds showed an inhibition of ochratoxin A production for P. verrucosum of approximately 100%.

Bioactive compounds with antifungal activity against pathogens isolated from pregnant woman: Gallesia integrifolia (garlic wood) is a promising treatment for vulvovaginal candidiasis.

ETHNOPHARMACOLOGICAL RELEVANCE: The leaves, bark, and roots of Gallesia integrifolia are consumed in folk medicine through infusion, decoction, and topical preparation by crushing because of its pharmacological properties in several peripheral system disorders, including microbial infections. The presence of various molecules in different parts of the plant likely confers this species' fungicidal action, but scientific evidence is lacking. Vulvovaginal candidiasis mainly affects women of reproductive age. When left untreated, it can cause pregnancy complications. Currently available antifungals often cause undesirable side effects. New alternative therapeutic strategies based on medicinal plants have been proposed. AIM: To investigate the antifungal activity of G. integrifolia against vulvovaginal candidiasis secretion in pregnant women. MATERIALS AND METHODS: Antifungal activity was determined by the minimum inhibitory concentration (MIC), determined by broth microdilution method using Candida spp (NEWP1210), C. albicans (CCCD-CC001), C. tropicalis (CCCD-CC002) standard and clinical isolates from pregnant women with vulvovaginal candidiasis. Nystatin and fluconazole were used as positive controls. The chemical composition of essential oils that were extracted from leaves, flowers, and fruits of G. integrifolia was determined by gas chromatography coupled to mass spectrometry. Reverse docking was used to suggest a possible target in Candida. Conventional docking was used to identify the most probable compound that inhibits fungal growth. RESULTS: A total of 24 compounds were identified, accounting for ∼99% of volatile constituents in the essential oils. Leaves of G. integrifolia contained 3,5-dithiahexanol-5,5-dioxide (40.93%), flowers contained methionine ethyl ester (46.78%), and fruits contained 2,8-dithianonane (54.01%) as the most abundant compounds. The MICs of essential oils of leaves, flowers, and fruits of G. integrifolia against standard strains of Candida spp, C. albicans, and C. tropicalis ranged from 13.01 to 625.00 µg/mL. The essential oil of flowers more effectively inhibited Candida spp. Essential oils of leaves and flowers were similar to fluconazole against C. albicans. Essential oils of flowers and fruits were similar to fluconazole against C. tropocalis. In Candida yeast species that were isolated from vaginal secretion samples from pregnant patients, the MICs of leaves and flowers ranged from 52.08 to 5000.00 µg/mL. The essential oil of leaves (277.77 µg/mL) was the most active against C. albicans. No significant differences were found between the essential oils of leaves and flowers against C. glabrata. Docking simulations suggested that phytol in leaves and flowers was responsible for the antimicrobial effect. CONCLUSION: The present results suggest the potential therapeutic use of G. integrifolia, especially its leaves and flowers, against Candida and vulvovaginal candidiasis.

An analytical method for the quantitative determination of iron ion chelating capacity: development and validation

Iron is a fundamental microelement for human life; however, deficiencies or excesses of these metal ions can cause severe complications and mortality. Chelators are compounds that bind and inhibit iron. Ultraviolet-visible (UV-vis) spectrophotometric methods are key analytical tools in the identification of chemical entities, with the benefits of having good precision and accuracy, and the equipment being easily available as well as quick and simple to implement. In this study, we aimed to provide an alternative, cheaper method for the quantification of iron ion chelation by substituting ferrozine for gallic acid and validating its use with UV-vis according to official ANVISA and ICH guidelines. The parameters assessed were specificity, linearity, precision, accuracy, robustness, and finally, the percentage of iron ions chelating was calculated. The results demonstrated that this method was accurate, simple, specific, selective, precise, and reproducible, and was successfully validated for the determination of iron ions chelating. The percentage of iron ions chelating, promoted by the standard chelator EDTA, was 45% and 47% for Fe2+ and Fe3+, respectively. It is concluded that this new method is beneficial in terms of its simplicity, rapidness, low cost, and the fact that it produces very low levels of dangerous residues.(AU)

Influence of different preparation techniques on the composition and antioxidant action of curcumin and curcuminoids / Influencia de diferentes técnicas de preparación en la composición y acción antioxidante de la curcumina y los curcuminoides

Epidemiological evidence indicates that plant antioxidants activity can treat or help to prevent the development of various diseases. One species with great potential as an antioxidant is Curcuma longa. However, different extraction techniquescan influence isolated chemical compounds. This study investigated chemical composition and antioxidant activity of two rhizome extracts of C. longa: hydroethanolic, obtained by exhaustion (HECLex); and dried by a spray dryer (HECLsd). The phytochemical composition was evaluated by GC/MS. Antioxidant activity was evaluated using DPPH and FRAP assays. Total phenolic compounds and soil analyses were performed. The main components of HECLex were ar-turmerone, γ-curcumene, α-turmerone, and ß-sesquiphellandrene. The main components of HECLsd were 9,12,15-octadecatrienoic acid, 2, 3-bis([trimethylsilyl]oxy) propyl ester, verrucarol, and 1-monolinoleoylglycerol trimethylsilyl ether. HECLsd had significantly higher levels of phenolic compounds and higher antioxidant capacity compared with HECLex. In conclusion, processes of the preparation of C. longarhizomes alter the chemical components and consequently their biological activity.

La evidencia epidemiológica indica que la actividad de los antioxidantes de las plantas pueden tratar o ayudar a prevenir el desarrollo de diversas enfermedades. Una especie con gran potencial como antioxidante es Curcuma longa. Sin embargo, diferentes técnicas de extracción pueden influir en los compuestos químicos aislados. Este estudio investigó la composición química y la actividad antioxidante de dos extractos de rizoma de C. longa: hidroetanólico, obtenido por agotamiento (HECLex); y se seca con un secador por pulverización (HECLsd). La composición fitoquímica se evaluó mediante GC/MS. La actividad antioxidante se evaluó mediante ensayos DPPH y FRAP. Se realizaron análisis de suelos y compuestos fenólicos totales. Los componentes principales de HECLex fueron ar-turmerona, γ-curcumene, α-turmerone y ß-sesquiphellandrene. Los componentes principales de HECLsd fueron ácido 9,12,15-octadecatrienoico, éster 2,3-bis ([trimetilsilil] oxi) propílico, verrucarol y éter 1-monolinoleoilglicerol trimetilsilil. HECLsd tenía niveles significativamente más altos de compuestos fenólicos y mayor capacidad antioxidante en comparación con HECLex. En conclusión, los procesos de preparación de los rizomas de C. longa alteran los componentes químicos y consecuentemente su actividad biológica.

Larvicidal activity of Brunfelsia uniflora extracts on Aedes aegypti larvae.

The aim of this study was to evaluate the chemical composition and the larvicidal activity of Brunfelsia uniflora leaf and flower extracts against Aedes aegypti larvae. Twenty-four compounds were found in the leaf extract, and the major compounds were phytol (23.1%), 9,12,15-octadecatrienoic acid, ethyl ester (21.3%), and hexadecanoic acid, ethyl ester (12.8%). In the flower extract, twenty-four compounds were also identified and the major compounds were α-amyrin (35.7%), ß-amyrin (16.4%), and (EE)-geranyl linalool (9.6%) by gas chromatography coupled to mass spectrometry. The larvicidal activity was evaluated by larval immersion test. The lethal concentrations (LC) obtained from leaf extract were LC50 = 4.89 and LC99.9 = 11.14 mg/mL and from flower extract were LC50 = 3.82 and LC99.9 = 11.03 mg/mL, and the positive control presented LC50 = 0.40 and LC99.9 = 1.14 mg/mL. Thus, B. uniflora extracts are promising alternatives to control A. aegypti larvae.

Recent Advances in the Prediction of Pharmacokinetics Properties in Drug Design Studies: A Review.

This review presents the main aspects related to pharmacokinetic properties, which are essential for the efficacy and safety of drugs. This topic is very important because the analysis of pharmacokinetic aspects in the initial design stages of drug candidates can increase the chances of success for the entire process. In this scenario, experimental and in silico techniques have been widely used. Due to the difficulties encountered with the use of some experimental tests to determine pharmacokinetic properties, several in silico tools have been developed and have shown promising results. Therefore, in this review, we address the main free tools/servers that have been used in this area, as well as some cases of application. Finally, we present some studies that employ a multidisciplinary approach with synergy between in silico, in vitro, and in vivo techniques to assess ADME properties of bioactive substances, achieving successful results in drug discovery and design.