Unlocking Hidden Treasures: LC-MS/MS Molecular Networks for Exploring Novel Passiflora Species with Pharmaceutical Potential.

IIn this study, we report the metabolic profiling of several previously uncharacterized Passiflora species native to Brazil, employing molecular networks to delve deeper into chemical constituents. Using the GNPS platform, in silico tools, and substructure annotation techniques, we expanded the chemical annotations. Principal Coordinate Analysis (PCoA) revealed significant metabolic similarities between several species, including P. incarnata, suggesting shared pharmacological potential. Our identification of metabolic compounds facilitated comparisons between understudied species with medicinal properties. Notably, we documented 25 previously uncharacterized species, paving the way for the development of novel products aimed at improving human well-being. This research focused on several native Passiflora species from Brazil, highlighting their unexplored therapeutic potential.

Properties and medical applications of the Euphorbiaceae family and their bioproducts: a patent review.

Euphorbiaceae is a family of dicotyledonous angiosperm plants that occur mainly in the tropics and produce a variety of secondary metabolites. Given the abundance of the Euphorbiaceae species and the diversity of substances they produce, this study aims to investigate paten documents concerning inventions and models involving the pharmacological use of these species, contributing to the study of their medicinal potential. The present review delves into patent documents in the Patentscope database, from the application of search criteria, such as "simple search" with the "Euphorbiaceae" keyword, limited to the front page, with stemming, without language limitation, from any patent office, and excluding non-patent literature (NPL). The selected patents were prevalently published in East Asian offices between 1998 and 2023, including 41 species of Euphorbiaceae of 19 genera, with 31 metabolites represented. The collected metabolites predominantly exhibited anti-tumoral (N = 21), anti-inflammatory (N = 10), antioxidant (N = 7), and anti-bacterial (N = 6) activities. Additionally, some substances have shown valid properties for treating non-communicable diseases (N = 8). The patents demonstrate the biotechnological potential of species from the Euphorbiaceae family, which are exceptionally satile regarding their applications in the health sector. However, the small number of patents that identify specific metabolites hinders a more thorough investigation of the activities of the products extracted from these species.

Hydroethanolic extracts from Bauhinia guianensis: a study on acute toxicity in Zebrafish embryos and adults.

CONTEXT: The botanical species Bauhinia guianensis Aublet (Leguminosae-Cercidoideae) is traditionally used in the Amazon for medicinal purposes. OBJECTIVE: The acute toxicity of the hydroethanolic extracts from B. guianensis leaves and stems (HELBg and HESBg) was evaluated in zebrafish (Danio rerio), with emphasis on the embryonic developmental stage and adult alterations. MATERIALS AND METHODS: Extracts were analyzed on LC-DAD-MS/MS. Zebrafish eggs were inoculated individually with concentrations of HELBg and HESBg (0.25, 0.5, 0.75, 1.0, and 1.5 µg/mL), observed for 96 h. Adult zebrafish were treated with a single oral dose (100, 200, 500, 1000, and 2000 mg/kg) of HELBg and HESBg, observed for 48 h. RESULTS: HELBg and HESBg analysis detected 55 compounds. Both extracts exhibited toxicity, including embryo coagulation at higher doses of HELBg and absence of heartbeats in embryos at all doses of HESBg. Behavioral variations were observed; tissue alterations in adult zebrafish were found at the highest doses, primarily in the liver, intestine, and kidneys because of HELBg and HESBg effects. The LD50 of HESBg was 1717 mg/kg, while HELBg exceeded the limit dose of 2000 mg/kg. CONCLUSIONS: The study on acute toxicity of B. guianensis extracts exhibits significant toxic potential, emphasizing effects on embryonic and adult zebrafish. The results suggest relative safety of the species preparations, encouraging further clinical trials on potential biological activities.

Chemistry and Bioactivity of the Genus Persea - A Review.

This review provides the first comprehensive appraisal of bioactive compounds and their biological activities in Persea species from 1950 to 2023. Relevant articles from reputable databases, including PubMed, Web of Science, Science Direct and Google Scholar were collected, leading to the isolation of about 141 metabolite compounds, mainly flavonoids, terpenoids, fatty alcohols, lignoids, and γ-lactone derivatives. These compounds exhibit diverse biological activities, including insecticidal, antifeedant, nematicidal, antibacterial, antifungal, antiviral, cytotoxic, anti-inflammatory, and antioxidant properties. The review emphasizes the significant chemical and pharmacological potential of different Persea species, encouraging further research in various fields and medicine. Valuable insights into potential applications of Persea plants are provided.

Phytochemical Characterization and In Vitro and In Silico Biological Studies from Ferns of Genus Blechnum (Blechnaceae, Polypodiales).

The genus Blechnum represents one of the most ecologically and therapeutically important groups of ferns that grow in tropical, subtropical and temperate regions. In this work, the chemical fingerprint of lyophilized extracts of Blechnum chilense, B. hastatum, B. magellanicum and B. penna-marina species, the determination of their antioxidant activity through ORAC, FRAP and DPPH assays and inhibition of cholinesterase enzymes (AChE and BChE), and an in silico analysis of selected majority compounds on cholinesterase enzymes were identified. Nineteen compounds were recorded for B. chilense, nine in B. hastatum, seventeen in B. magellanicum and seventeen in B. penna-marina by liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UHPLC-ESI-QTOF-MS). The content of phenolic compounds, flavonoids, antioxidant activity and enzyme inhibition were variable among species, with best results for B. penna-marina. Molecular docking evidenced low toxicities, significant pharmacokinetic properties, and significant binding affinities of the tested compounds for the AChE and BChE enzymes. These fern species show high diversity of bioactive compounds and represent a promising resource in phytotherapy, especially for their optimal levels of phenolic compounds that support their antioxidant activity.

Molecular and Therapeutic Insights of Alpha-Lipoic Acid as a Potential Molecule for Disease Prevention.

Alpha-lipoic acid is an organic, sulfate-based compound produced by plants, humans, and animals. As a potent antioxidant and a natural dithiol compound, it performs a crucial role in mitochondrial bioenergetic reactions. A healthy human body, on the other hand, can synthesize enough α-lipoic acid to scavenge reactive oxygen species and increase endogenous antioxidants; however, the amount of α-lipoic acid inside the body decreases significantly with age, resulting in endothelial dysfunction. Molecular orbital energy and spin density analysis indicate that the sulfhydryl (-SH) group of molecules has the greatest electron donating activity, which would be responsible for the antioxidant potential and free radical scavenging activity. α-Lipoic acid acts as a chelating agent for metal ions, a quenching agent for reactive oxygen species, and a reducing agent for the oxidized form of glutathione and vitamins C and E. α-Lipoic acid enantiomers and its reduced form have antioxidant, cognitive, cardiovascular, detoxifying, anti-aging, dietary supplement, anti-cancer, neuroprotective, antimicrobial, and anti-inflammatory properties. α-Lipoic acid has cytotoxic and antiproliferative effects on several cancers, including polycystic ovarian syndrome. It also has usefulness in the context of female and male infertility. Although α-lipoic acid has numerous clinical applications, the majority of them stem from its antioxidant properties; however, its bioavailability in its pure form is low (approximately 30%). However, nanoformulations have shown promise in this regard. The proton affinity and electron donating activity, as a redox-active agent, would be responsible for the antioxidant potential and free radical scavenging activity of the molecule. This review discusses the most recent clinical data on α-lipoic acid in the prevention, management, and treatment of a variety of diseases, including coronavirus disease 2019. Based on current evidence, the preclinical and clinical potential of this molecule is discussed. Supplementary Information: The online version contains supplementary material available at 10.1007/s43450-023-00370-1.

Estudio computacional de la reactividad y propiedades fisicoquímicas del eugenol, 2-metoxi-4-oxiranilmetilfenol y quinona metilada / Computational study of the reactivity and physicochemical properties of eugenol, 2-methoxy-4-oxiranylmethylphenol and methylated quinone

RESUMEN El eugenol es un fenilpropanoide con potencial farmacológico, este estudio determinó teóricamente las propiedades fisicoquímicas del eugenol y derivados. Se encontró que estos cumplen con las reglas de cinco de Lipinski, lo que los posiciona como posibles fármacos. Asimismo, se estudió la reactividad de estas moléculas frente al citocromo P450 y en microorganismos aeróbicos. Utilizando programas de acceso libre se encontró que estas reacciones se dan, principalmente, en los átomos de carbono 1, 2, 3 y 7. Por último, se encontró una correlación entre el desplazamiento químico del 1H RMN y la energía de activación de los átomos de carbono.

SUMMARY Eugenol is a phenylpropanoid with pharmacological potential, this study theoretically determined the physicochemical properties of eugenol and derivatives. It was found that they comply with the Lipinski's rule of five, which positions them as possible drugs. Likewise, the reactivity of these molecules against cytochrome P450 and in aerobic microorganisms was studied. Using free access software, it was found that these reactions occur mainly in the carbon atoms 1, 2, 3 and 7. Finally, a correlation was found between the chemical shift of 1H NMR and the activation energy of the carbon atoms.

Trends and gaps in the global scientific literature about Jatropha curcas L. (Euphorbiaceae), a tropical plant of economic importance / Tendências e lacunas na literatura científica global sobre Jatropha curcas L. (Euphorbiaceae), uma planta tropical de importância econômica

Jatropha curcas L., popularly known as the physic nut, is a monoecious, perennial lactiferous species belonging to the family Euphorbiaceae. Recently, interest in this species has been growing, due to its ability to flourish on degraded land and in soils with low natural fertility, the high oil content of its seeds, its rapid growth and easy propagation, and the identification of several secondary metabolites with medicinal importance. This study aims to report the main trends and gaps in the global scientific literature about J. curcas L, using a scientometric analysis. We have carried out this scientometric analysis on the global literature to identify: 1) temporal publication trends; 2) the quality of scientific production, estimated using citation numbers and journal impact factors; 3) the main journals and countries interested in this topic and the language of scientific divulgation; 4) the main research fields; 5) the use of wild or commercial cultivars; and 6) average authorship levels and international collaboration networks. Our findings have revealed a continuous increase in both quantitative and qualitative parameters in studies about J. curcas. The main trends in physic nut studies involve biofuel production and the plants agronomic characteristics. The main knowledge gaps relating to J. curcas are in the fields of forestry, sustainability, animal nutrition, and genetic improvement. Another problem identified in this study is a lack of commercial seeds; none of the studies analyzed have used commercial seeds. India, Brazil, and China together are responsible for 55% of the knowledge about this species, obtained through scientific production. Only moderate international collaboration has been observed between countries, perhaps as consequence of conflicts of interest. Despite an increasing number of articles, som e countries have stopped producing J. curcas L, and the worldwide crop production has decreased.(AU)

Jatropha curcas L., p opularmente conhecida como pinhão manso é uma espécie monóica, lactífera e perene pertencente à família Euphorbiaceae. Recentemente, o interesse científico por esta espécie vem aumentando devido à capacidade dessa planta de se desenvolver em terras degradadas ou em solos de baixa fertilidade natural; ao alto teor de óleo de suas sementes; a propagação fácil; ao rápido crescimento; a identificação de vários metabólitos secundários com relevante potencial medicinal. O objetivo deste estudo foi relatar as principais tendências e lacunas da literatura científica mundial sobre J. curcas L através de uma análise cienciométrica. Neste estudo foi realizada uma análise da literatura mundial tentando identificar: 1.) as tendências temporais de publicação; 2.) a qualidade da produção científica estimada pelo número de citações e fator de impacto das revistas; 3.) as principais revistas e países interessados no tema ea linguagem da divulgação científica; 4.) os principais campos de estudos; 5.) A utilização de cultivar selvagem ou comercial; e 6.) número médio de autores e rede de colaboração. Como resultado, observou-se aumento contínuo em ambos os parâmetros quantitativos e qualitativos nos estudos sobre J. curcas. As principais tendências em estudos de pinhão-manso foram à produção de biocombustíveis e características agronômicas. As principais lacunas no conhecimentosobre J. curcas foram associados com a silvicultura e sustentabilidade, nutrição animal e melhoramentogenético. Outro problema identificado neste estudo foi a falta de sementes comerciais, todos os artigosinvestigados usaram sementes não comerciais. Em relação à produção científica, Índia, Brasil e Chinajuntos foram responsáveis por 55% dos artigos publicados sobre o tema. Além disso, observou-se...(AU)

Trends and gaps in the global scientific literature about Jatropha curcas L. (Euphorbiaceae), a tropical plant of economic importance / Tendências e lacunas na literatura científica global sobre Jatropha curcas L. (Euphorbiaceae), uma planta tropical de importância econômica

Jatropha curcas L., popularly known as the physic nut, is a monoecious, perennial lactiferous species belonging to the family Euphorbiaceae. Recently, interest in this species has been growing, due to its ability to flourish on degraded land and in soils with low natural fertility, the high oil content of its seeds, its rapid growth and easy propagation, and the identification of several secondary metabolites with medicinal importance. This study aims to report the main trends and gaps in the global scientific literature about J. curcas L, using a scientometric analysis. We have carried out this scientometric analysis on the global literature to identify: 1) temporal publication trends; 2) the quality of scientific production, estimated using citation numbers and journal impact factors; 3) the main journals and countries interested in this topic and the language of scientific divulgation; 4) the main research fields; 5) the use of wild or commercial cultivars; and 6) average authorship levels and international collaboration networks. Our findings have revealed a continuous increase in both quantitative and qualitative parameters in studies about J. curcas. The main trends in physic nut studies involve biofuel production and the plant’s agronomic characteristics. The main knowledge gaps relating to J. curcas are in the fields of forestry, sustainability, animal nutrition, and genetic improvement. Another problem identified in this study is a lack of commercial seeds; none of the studies analyzed have used commercial seeds. India, Brazil, and China together are responsible for 55% of the knowledge about this species, obtained through scientific production. Only moderate international collaboration has been observed between countries, perhaps as consequence of conflicts of interest. Despite an increasing number of articles, som e countries have stopped producing J. curcas L, and the worldwide crop production has decreased.

Jatropha curcas L., p opularmente conhecida como pinhão manso é uma espécie monóica, lactífera e perene pertencente à família Euphorbiaceae. Recentemente, o interesse científico por esta espécie vem aumentando devido à capacidade dessa planta de se desenvolver em terras degradadas ou em solos de baixa fertilidade natural; ao alto teor de óleo de suas sementes; a propagação fácil; ao rápido crescimento; a identificação de vários metabólitos secundários com relevante potencial medicinal. O objetivo deste estudo foi relatar as principais tendências e lacunas da literatura científica mundial sobre J. curcas L através de uma análise cienciométrica. Neste estudo foi realizada uma análise da literatura mundial tentando identificar: 1.) as tendências temporais de publicação; 2.) a qualidade da produção científica estimada pelo número de citações e fator de impacto das revistas; 3.) as principais revistas e países interessados no tema ea linguagem da divulgação científica; 4.) os principais campos de estudos; 5.) A utilização de cultivar selvagem ou comercial; e 6.) número médio de autores e rede de colaboração. Como resultado, observou-se aumento contínuo em ambos os parâmetros quantitativos e qualitativos nos estudos sobre J. curcas. As principais tendências em estudos de pinhão-manso foram à produção de biocombustíveis e características agronômicas. As principais lacunas no conhecimentosobre J. curcas foram associados com a silvicultura e sustentabilidade, nutrição animal e melhoramentogenético. Outro problema identificado neste estudo foi a falta de sementes comerciais, todos os artigosinvestigados usaram sementes não comerciais. Em relação à produção científica, Índia, Brasil e Chinajuntos foram responsáveis por 55% dos artigos publicados sobre o tema. Além disso, observou-se...

Evaluation of antibacterial activity of the bark and leaf extracts of Brosimum gaudichaudii Trécul against multidrug resistant strains.

Brosimum gaudichaudii Trécul., a plant that belongs to Moraceae family, is found throughout the Brazilian Cerrado. The antimicrobial activities of ethanolic bark and leaf extracts of B. gaudichaudii were tested against multiresistant bacteria isolated from diabetic foot infections (DFIs). Antimicrobial activity of the extracts was evaluated by agar disc diffusion (DD) and broth dilution (BD) methods. By BD method, bark (53.85, 45.83%) and leaf (42.31, 50.00%) extracts contained antimicrobial activity against both gram-negative and gram-positive bacteria. Increased antimicrobial activity was observed when bark and leaf extracts were tested against Staphylococcus aureus (63.64%) and Pseudomonas aeruginosa (66.67%). Statistical analyses of bark and leaf extract demonstrated antimicrobial activity against both gram-positive (p = 0.000) and gram-negative bacteria (p = 0.012). Extract of bark (p = 0.075) or leaf (p = 0.005) associated with ACA antibiotic showed antimicrobial activity against gram-positive bacteria. Our study suggests that the bark and leaf extracts contain bioactive compounds with antimicrobial activity against multidrug resistant strains.