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Leukemia is one of the most frequent types of cancer. No effective treatment currently exists, driving a search for new compounds. Simple structural modifications were made to novel triterpenes isolated from Phoradendron wattii. Of the three resulting derivatives, 3α-methoxy-24-hydroxylup-20(29)-en-28-oic acid (T1m) caused a decrease in the median inhibitory concentration (IC50) on the K562 cell line. Its mode of action was apparently apoptosis, ROS generation, and loss of mitochondrial membrane potential (MMP). Molecular docking analysis showed T1m to produce lower binding energies than its precursor for the Bcl-2 and EGFR proteins. Small, simple, and viable modifications to triterpenes can improve their activity against leukemia cell lines. T1m is a potentially promising element for future research. Clarifying the targets in its mode of action will improve its applicability.

Leishmaniasis is one of the most neglected tropical diseases in the world, causing high mortality and morbidity. In addition, the medications used to treat this disease are highly toxic, long-term used, and with resistance problems. This emphasizes the need to search for new molecules with antileishmanial potential. In the present work, the methanol extract from the rhizomes of Dorstenia contrajerva L., Moraceae and the compounds cycloartocarpesin (1) and 1-O-linolenoyl-2-O-stearoyl-3-O-β-d-galactopyranosyl glycerol (2) were evaluated against axenic amastigotes of Leishmania mexicana. The antiparasitic effect was determined by incubating the parasites with different concentrations of the extract and metabolites for 5 days. Methanol extract and metabolites 1 and 2 showed remarkable antileishmanial activity (IC50 9.9 µg/ml, 2.0 and 0.9 µM, respectively) against amastigotes. These results suggested that the methanol extract of D. contrajerva and compounds 1 and 2 could serve as leads for the development of new treatments against leishmaniasis.

Approximately 80% of people in developing countries depend on medicinal plants for their health care. Tridax procumbens (T. procumbens) and Allium sativum (A. sativum) have beneficial effects against parasitic and bacterial diseases. On the other side, the biological activity of the oxylipin (3S)-16,17-didehydrofalcarinol isolated from T. procumbens against the parasite Leishmania mexicana has been verified.To evaluate the acute oral toxicity of the methanolic extract of T. procumbens, the aqueous extract of A. sativum, their mixture, and pure oxylipin (3S)-16,17-didehydrofalcarinol in BALB/c mice.Doses of 2000 and 5000 mg/kg of the methanolic extract of T. procumbens, the aqueous extract of A. sativum, and their mixture (1:1), and doses of 300 and 500 mg/kg of pure oxylipin were administered orally to female mice of the strain BALB/c, which were observed for 72 h in search of signs of toxicity. After 14 days, the animals were euthanized, blood was extracted for the measurement of transaminases, and the livers were recovered and stained with hematoxylin/eosin for histopathological analysis.No clinical signs of toxicity were observed in any of the animals dosed with T. procumbens and A. sativum extracts, while the majority of the animals dosed with pure oxylipin showed signs of toxicity and died. There was no difference in the weight index in most of the animals, except for the animals treated with T. procumbens at doses of 2000 mg/kg who presented an increase in the weight index, nor was there a correlation between the dose of A. sativum and the mixture and food consumption; however, a direct proportional correlation was observed between T. procumbens dose and food consumption. In none of the animals dosed with T. procumbens, A. sativum, and the mixture there was a difference in the levels of transaminases. In the histopathology study, slight lesions were observed in the hepatocytes of the mice treated with T. procumbens, A. sativum, and their mixture at doses of 2000 and 5000 mg/kg. On the other side, moderate injuries were observed in animals treated with pure oxylipin and it was considered as toxic due to almost all the animals died.The extracts of T. procumbens and A. sativum evaluated and applied orally did not cause signs of acute toxicity or severe liver damage, suggesting to evaluate their chronic toxicity including other biochemical parameters in the future. However, pure oxylipin caused signs of acute toxicity and death so it is recommended to work with lower doses.

The use of natural products in fungal disease control is an approach to reduce the negative impact of synthetic fungicides in agriculture and the environment. Although there are many alternatives, beach-cast seaweeds are a natural source of novel compounds that can be useful against fungal phytopathogens. In this study, aqueous extracts (AEs) of five species of beach-cast seaweeds, Agardhiella subulata, Bryothamnion triquetrum, Codium isthmocladum, Dictyota dichotoma, and Halymenia floresii, collected in Yucatan, Mexico, were tested against Fusarium oxysporum, Colletotrichum gloeosporioides, and Pseudocercospora fijiensis by dilution assays. From these, only H. floresii AE showed antifungal activity against P. fijiensis (13.7 mg mL−1). Furthermore, the protein fraction isolated from this AE was also active against P. fijiensis at 0.625 μg mL−1. The chromatographic profile of H. floresii AE with antifungal activity showed three major peaks at retention times (tR) 1.6, 23.0, and 23.9 min, respectively. Analysis of solids in H. floresii AE after lyophilization revealed a possibly sulfated polysaccharide (carrageenan) derivative. The toxicity analysis on Artemia salina showed that this aqueous extract is safe.

The synthetic fungicides used in agriculture cause environmental and human health problems and favor the rise of resistant fungal strains. An alternative to decrease this negative impact is those products derived from native plants. Nevertheless, anthropogenic activities cause the loss of native plants with biotechnological potential, and the ex situ conservation is one way to protect them even though their biological activity may decrease in comparison with wild plants. Diospyros cuneata Standl., native species from the coastal dune of Yucatan, was collected in dry and rainy seasons from wild and nursery plants. The antifungal activity of its leaves aqueous extracts (AE) was tested against six phytopathogenic fungi through a dilution method, including four AE. The antifungal activity against Colletotrichum gloeosporioides of the AE of the dry season from wild and nursery plants was similar and higher than those of the rainy season. A liquid-liquid partition chromatographic technique was used to obtain organic fractions. The hexane fraction (HF) of wild and nursery plants of the dry season inhibited the germination of C. gloeosporioides and C. truncatum (Syn. C. capsici) spores. The chromatographic analysis of AE from the wild plant of the dry season indicated that the abundance of metabolites was the highest. The bioautography showed that in both fungi the most active zone corresponds to the HF of the nursery plants.

1AbstractMinimizing the human and economic costs of the COVID-19 pandemic and of future pandemics requires the ability to develop and deploy effective treatments for novel pathogens as soon as possible after they emerge. To this end, we introduce a unique, computational pipeline for the rapid identification and characterization of binding sites in the proteins of novel viruses as well as the core chemical components with which these sites interact. We combine molecular-level structural modeling of proteins with clustering and cheminformatic techniques in a computationally efficient manner. Similarities between our results, experimental data, and other computational studies provide support for the effectiveness of our predictive framework. While we present here a demonstration of our tool on SARS-CoV-2, our process is generalizable and can be applied to any new virus, as long as either experimentally solved structures for its proteins are available or sufficiently accurate homology models can be constructed.

En este artículo se analiza la trata de mujeres para explotación sexual como una forma extrema de violencia de género. La revisión de algunos instrumentos jurídicos en la materia y del modus operandi de la trata de personas a partir de numerosos testimonios, permite constatar la transgresión flagrante a los derechos humanos de las víctimas en una secuencia delictiva que traspasa los límites de la crueldad. Como punto de partida, se anota una definición de violencia de género, que sirve como telón de fondo para entender el camino de la trata de personas para explotación sexual. Las leyes y políticas públicas que únicamente se enfocan en la delincuencia organizada deben ampliar su visión para incorporar la violencia de género dentro sus protocolos y brindar una mejor atención a las víctimas.

INTRODUCTION: (3S)‐16,17‐Didehydrofalcarinol (1) has been isolated from Tridax procumbens and has proved to have notorious bioactivity against Leishmania mexicana. In this study, hexane fractions obtained from the methanol extract of each plant part (roots, stems, leaves, flowers, and fruits) of T. procumbens collected monthly during a year were analysed in order to determine the quantity of 1 associated with biotic variables. OBJECTIVE: The aim of this study was to find the season of the year in which the bioactive metabolite 1 is at the highest concentration and to correlate it with temperature, length of day light, and rainfall. METHODS: Hexane fractions were obtained by liquid–liquid extraction and an accurate quantitation of 1 was performed using gas chromatography with a flame ionisation detector (GC‐FID) employing pelargonic acid vanillyl amide (2) as internal standard. Partial validation was based on linearity and precision. RESULTS: Our results indicated that the total content of 1 has significant variation (P ≤ 0.05) during the different collecting months. The total content of the metabolite reached its highest level in the roots of the plant during June in the rainfall season (0.0358 ± 0.001 mg/g), and its lowest values in February and March during the drought season (0.0015 ± 0.000 and 0.0008 ± 0.000 mg/g, respectively). CONCLUSION: Our study provided evidence that the content of 1 in roots is strongly influenced by the variables of the harvesting season, also indicating that the biosynthesis of the active metabolite is enhanced during the warm and rainy months.

Massive rotator cuff injuries (LMMRs) are those breaks of more than 5 cm either the anteroposterior plane, or lateromedial plane. Some authors consider them to be complete ruptures of at least two rotator cuff tendons. The clinical case of a 63-year-old man with this type of injury that was resolved by the superior capsule reconstruction technique is presented, technical details and some of the literature review to carry out the procedure are shown.Las lesiones masivas del manguito rotador (LMMR) son aquellas roturas de más de 5 cm ya sea el plano anteroposterior o lateromedial. Algunos autores las consideran como roturas completas de al menos dos tendones del maguito rotador. Se presenta el caso clínico de un varón de 63 años con este tipo de lesión que se resolvió mediante la técnica de reconstrucción de cápsula superior, se muestran detalles técnicos y un poco de la revisión de la literatura para llevar a cabo el procedimiento.

© 2018 The Authors. Ecology and Evolution published by John Wiley & Sons Ltd. Host–parasite associations facilitate the action of reciprocal selection and can drive rapid evolutionary change. When multiple host species are available to a single parasite, parallel specialization on different hosts may promote the action of diversifying natural selection and divergence via host race formation. Here, we examine a population of the kidnapper ant (Polyergus mexicanus) that is an obligate social parasite of three sympatric ant species: Formica accreta, F. argentea, and F. subaenescens (formerly F. fusca). Behavioral and ecological observations of P. mexicanus have shown that individual colonies parasitize only one species of host and that new Polyergus queens maintain host fidelity when establishing new colonies. To successfully adapt to a particular host, Polyergus ants may mimic or camouflage themselves with the species-specific chemical cues (cuticular hydrocarbons) that their hosts use to ascertain colony membership. To investigate the extent of host specialization, we collected both genetic and chemical data from P. mexicanus that parasitize each of the three different Formica species in sympatry. We show that host-associated genetic structure exists for both maternally inherited mitochondrial DNA data and biparentally inherited microsatellite markers. We also show that P. mexicanus can be distinguished by chemical profile according to host due to partial matching with their host. Our results support the hypothesis that host race formation is occurring among lineages of P. mexicanus that use different Formica hosts. Thus, this system may represent a promising model for illuminating the early steps of divergence, accumulation of reproductive isolation, and speciation.

In this study, particles of chitosan-carrageenan (Cs-Crg) and chitosan-carrageenan-lysozyme (CS-Crg-LZ) were synthesized by ionic complexation. The particles were analyzed by atomic force microscopy, dynamic light scattering and FT-IR, and the percentage of association of lysozyme was determined. The biological activity of the particles was evaluated by viability assays of Aspergillus parasiticus spores and cytotoxicity in ARPE-19 cells. The effect on subcellular structures was analyzed by fluorescence microscopy. The addition of lysozyme reduced the size of the particles. The size and Z potential of the synthesized particles were 725±5.5 and 250±8.1 nm and 28.7±1.0 and 21.6±0.8 mV for CS-Crg and CS-Crg-LZ, respectively. CS-Crg-LZ and CS-Crg particles exhibited a higher (p

A model polycyclic aromatic hydrocarbon (PAH) compound, anthracene, was incorporated into a thermosetting epoxy matrix as a reinforcing moiety via physical dispersion and/or chemical modification. In order to understand the “additive effect” of glass transition temperature (Tg) observed with the variation of free anthracene (AN) and bonded 2-aminoanthracene (2-AM) loading, the relaxation dynamics were investigated by broadband dielectric spectroscopy. Within the measurement range of 0.01 Hz–1 MHz and −60 to 130 °C, three relaxation processes, namely normal mode (n-mode) relaxation, α relaxation, and β relaxation, were observed for all epoxy composites with bonded and/or unbound anthracene. After eliminating the strong effect of ionic conduction by using the logarithmic derivative approximation e ' ' ∝ ∂ e ' ∂ ln ω , derived from the Kramers-Kronig relations, the n-mode relaxation occurring at low frequencies above Tg for the rigid epoxy system is revealed. The Arrhenius diagram showing the temperature dependence of each relaxation process for the PAH-epoxy composites was obtained after parametric fitting using the Havriliak-Negami (HN) function in the frequency domain. The segmental α relaxation was more strongly impacted than the long-range n-mode relaxation by the different reinforcing approaches. The correlation of Tg -scaled fragility to molecular structures reveals the different mechanisms for the retardation effects on cooperative segmental and chain relaxation time. The localized β relaxation below Tg was not seemingly affected by the incorporation of bound and/or unbound anthracenes as indicated by the characteristic relaxation time and the activation energy.

We documented the appearance and elevated abundance of the uncommon dingy purplewing butterfly, Eunica monima (Stoll) (Lepidoptera: Nymphalidae), and pronounced herbivory on its host plant Bursera simaruba (L.) Sarg. (Burseraceae) shortly after island-wide rat (Rattus rattus [L.]; Muridae) removal from Desecheo Island, Puerto Rico. We confirmed the species as E. monima by using both molecular and morphological analyses of larvae and adults. This is a first-time record of E. monima for the island of Desecheo, one of relatively few documented appearances in Puerto Rico during the last 100 yr, and an uncommon documentation of an outbreak of this species in the Caribbean. Although experimental manipulation would be needed to identify the cause of the E. monima population outbreak, we discuss possible cause-and-effect scenarios.

Five compounds were isolated from Bonellia macrocarpa roots: 1,3,5,6-tetramethoxy-8-methylnaphthalene (1), 3,5-dihydroxy-1,2,2-trimethyl-benzocyclobutane (2), 3-methoxy-5-octylphenol (3), 3-methoxy-2-methyl-5-pentylphenol (4), and protoprimulagenin A (5), being 1–3 new. Compound 5 showed the best effect, exhibiting cytotoxic activity on three of the cancer cell lines (HeLa, SiHa, and MCF-7) and antiproliferative activity against two cell lines (SiHa and DU-145). The isolated compounds were able to produce greater cytotoxic than antiproliferative effect; although their cytotoxic activity was not as potent, the cytotoxicity on Vero normal cell line was lower compared to that on cancer cell lines. This work contributes to the description of five compounds isolated from B. macrocarpa and highlights the biological potential of this species.

Secundiflorol G (SG) is an isoflavan isolated from the root bark of

Casearborin c (1), syringic acid (2), ent-3β-hydroxy-(-)-13-epi-manoyl oxide (3), ent-(-)-13-epi-manoyl oxide (4), ent-(-)-kaur-16-en-19-oic acid (5), and γ-sitosterol (6) were isolated from Casearia corymbosa stem bark. Only casearborin c showed cytotoxic activity on HeLa and SiHa cancer cell lines. This work contributes to the description of three compounds (1-3) newly isolated from C. corymbosa and highlights that casearborin c, a clerodane-type diterpene, is responsible for the cytotoxic activity shown in the original methanol extract of this species. Resumen. Casearborina c (1), ácido siríngico (2), óxido de ent-3β-hidroxi-(-)-13-epi-manoilo (3), óxido de ent-(-)-13-epi-manoilo (4), ácido ent-(-)-kaur-16-en-19-oico (5) y γ-sitosterol (6) se aislaron de la corteza del tallo de Casearia corymbosa. Sólo casearborina c mostró actividad citotóxica en las líneas de células cancerígenas HeLa y SiHa. Este trabajo describe tres compuestos (1-3) aislados por primera vez de C. corymbosa y destaca que casearborina c, un diterpeno de tipo clerodano, es responsable de la actividad citotóxica del extracto metanólico de esta especie.

Development of microparticles based on natural polymers has been of interest for researchers due to their applications, such as release systems. Currently, one of the problems presented by agriculture worldwide is the loss of fertilizers, i.e., urea, causing environmental pollution and high costs. The aim of this work was to develop microparticles of wheat glutenins by means of electrospray technique, with potential application as a urea controlled-release system in agricultural soils. The microparticles of wheat glutenins were characterized by scanning electron microscopy, Fourier transform infrared spectroscopy (FT-IR) and thermogravimetric analysis (TGA). In addition, a release kinetic test was performed to evaluate the possible behaviour of wheat-glutenin microparticles in agricultural soils with pH 4, 7 and 10, using buffers as the release medium. TGA indicated that microparticle stability was $${>}100{^{\circ }}\hbox {C}$$ , while FT-IR demonstrated the existence of physical interactions between urea and wheat glutenins. The kinetic tests showed the possible behaviour of the controlled-release fertilizer at pH 4, 7 and 10; rapid release at acidic pH and a decrease in release time at basic pH. With these results, we can conclude that the urea-charged wheat-glutenin microparticles can function as a controlled-release fertilizer in agricultural soils.

Two new 2-benzylbenzofurans, dorsjervin A (1) and dorsjervin B (2), were isolated together with other nine known compounds (3–11) from Dorstenia contrajerva. Structure elucidation of both compounds was done through UV, IR, 1D- and 2D-NMR experiments, and mass spectrometry. All of the isolated compounds were evaluated for an in vitro anti-leishmanial activity; compounds 7 and 8 were active, with IC50’s 4.9 and 2.9 μM, respectively. This is the first report on prenylated flavonoids (1, 2, and 7) isolated from a species of Dorstenia in the Americas.

The agave snout weevil (AGW) or sisal weevil, Scyphophorus acupunctatus Gyllenhal is here reported for the first time in St. Croix, U.S. Virgin Islands (USVI) where it threatens Agave eggersiana Trel., a USVI endemic and endangered century-plant. We provide molecular, morphological, and behavioral characters to successfully distinguish the two known Scyphophorus species at all developmental stages. We identified seven new larval characters on the mandibles and characters relating to the chaetotaxy of the labrum and labio-maxillary complex as well as new, putatively informative characters for weevil systematics: chitinized arm of mentum (postlabial strut or postlabial bracon) and the presence of 4 ventral malar setae, instead of 5. In the pupae, the difference in number and placement of rostral setae were also found to be diagnostic. We analyzed two genes, mtCO1 and EF1a, to confirm the identity of the immatures. Phylogenetic analysis of both genes separately and together suggests a clear pattern...

Currently, no studies have reported the application of supercritical fluid extraction (SFE) to obtain extracts of Tridax procumbens roots and to evaluate the effects of the pressure, temperature, and extraction time variables. There are few analytical investigations that have been done for the quantitation of falcarinol-type molecules in this species. In this study, a fast, new method using the SFE technology for the obtention of CO2 extract of T. procumbens, as well as its active metabolite (3S)-16,17-didehydrofalcarinol, was done. The aim was to evaluate the potential of a SFE procedure to deliver a high yield in a complex matrix and to achieve the best and selective condition. For the CO2 extract, the highest yield (0.2230 mg/g) was attained when 200 bar, 40 °C, and 4.5 h were employed; on the other hand, the maximum amount of (3S)-16,17-didehydrofalcarinol was 0.0409 mg/g operating at 150 bar, 45 °C, and 1.5 h.

Secundiflorol G (SG) is an isoflavan isolated from the root bark of Aeschynomene fascicularis, a Mayan medicinal plant used to treat cancer-like symptoms. SG has been shown to have cytotoxic effects on cervical cancer cells (HeLa). Assays were done to identify the mechanisms of SG’s cytotoxic effect. HeLa cells treated with SG exhibited early and late apoptosis, and caspase-9, -8 and -3 activities. It also induces generation of reactive oxygen species and disrupted mitochondrial membrane potential. SG isolated from A. fascicularis induces apoptosis through extrinsic and intrinsic pathways on HeLa cells. SG could be a candidate for in vivo studies and a promising natural compound in cervical cancer treatment.

Neurological disorders are a public health problem worldwide for which there is currently no direct treatment of the cause of the disorder. The goal of this study was to investigate the potential in vitro neuroprotective property of plants used in Mayan traditional medicine. Plant ethanolic extracts were prepared and tested on models in which neuronal damage was induced by glutamate, i.e., a human neuroblastoma cell line (SH-SY5Y) and rat cortical neurons. HPLC profiles from active extracts were also obtained. A total of 51 plant species were identified in the literature as plant species used in Mayan traditional medicine for the treatment of symptoms suggestive of neurological disorders, and we studied 34 of these in our analysis. Six extracts had a neuroprotective effect on SH-SY5Y cells, with the most active extract being that from Schwenckia americana roots (half maximal effective concentration [EC50] 11.3 ± 2.9 μg/mL), and three extracts exhibited a neuroprotective effect in the rat neuron cortical model, with the most active extract being that from Elytraria imbricata aerial parts (EC50 6.8 ± 3.1 μg/mL). These results suggest that the active extracts from such plants have the potential to be a great resource. Future studies should be performed that are more extensive and which isolate the active constituents.