Inhibition of Staphylococcus epidermidis and Pseudomonas aeruginosa biofilms by grape and rice agroindustrial residues.

Agroindustrial wastes are generated daily and seem to be rich in bioactive molecules. Thus, they can potentially be used as source of compounds able to control bacterial biofilms. We investigated the potential of extracts from the residues of rice and grape to combat clinically important bacterial biofilms.

Multiplatform Path-ComDim study of Capixaba, indigenous and non-indigenous Amazonian Canephora coffees.

Integrating diverse measurement platforms can yield profound insights. This study examined Brazilian Canephora coffees from Rondônia (Western Amazon) and Espírito Santo (southeast), hypothesizing that geographical and climatic differences along botanical varieties significantly impact coffee characteristics. To test this, capixaba, indigenous, and non-indigenous Amazonian canephora coffees were analyzed using nine distinct platforms, including both spectroscopic techniques and sensory evaluations, to obtain results that are more informative and complementary than conventional single-method analyses.

Enhancing mass spectrometry interpretability by ComDim-ICA multi-block analysis: Geographical and varietal traceability of Brazilian Coffea canephora.

Mass spectrometry can gain analytical interpretability by studying complementarity and synergy between the data obtained by the same technique. To explore its potential in an untargeted metabolomic application, the objective of this work was to obtain organic and aqueous coffee extracts of three coffee Canephora groups produced in Brazil with distinctive aspects: geographical origin and botanical variety. Aqueous and organic extracts of roasted coffee beans were analyzed by direct infusion electrospray ionization mass spectrometry.

Synthesis, design, and optimization of a potent and selective series of pyridylpiperazines as promising antimalarial agents.

An optimization of the pyridylpiperazine series against Plasmodium falciparum has been performed, exploring a structure-activity relationship carried out on the toluyl fragment of hit 1, a compound with low micromolar activity against Plasmodium falciparum discovered by high-throughput screening. After confirming the crucial role played by this aryl fragment in the antiplasmodial activity, the replacement of the ortho-methyl substituent of 1 by halogenated ones led to an improvement for four analogs, either in terms of potency, expected pharmacokinetics profile, or both. Further introduction of endocyclic nitrogens in this fragment identified two more optimized compounds, 20 and 23, which are expected to be much more metabolically stable than 1.

Evaluation and discovery of novel benzothiazole derivatives as promising hits against Leishmania infantum.

An early exploration of the benzothiazole class against two kinetoplastid parasites, Leishmania infantum and Trypanosoma cruzi, has been performed after the identification of a benzothiazole derivative as a suitable antileishmanial initial hit. The first series of derivatives focused on the acyl fragment of its class, evaluating diverse linear and cyclic, alkyl and aromatic substituents, and identified two other potent compounds, the phenyl and cyclohexyl derivatives. Subsequently, new compounds were designed to assess the impact of the presence of diverse substituents on the benzothiazole ring or the replacement of the endocyclic sulfur by other heteroatoms.

Metabolomic kinetics investigation of kombucha using mass spectrometry and bioinformatics approaches.

Kombucha is created through the fermentation of tea leaves, along with sucrose, utilizing a symbiotic consortium of bacteria and yeast cultures. Nonetheless, there exists a dearth of comprehensive information regarding the spectrum of metabolites that constitute this beverage. To explore this intricate system, metabolomics was used to investigate fermentation kinetics of Kombucha.

Stilbenes, phenanthrenes and antiproliferative activity of .

The phytochemical study of (Orchidaceae) led to the isolation of two new stilbenoids and one new 9,10-dihydrophenanthrene, 4',5-dihydroxy-2',3-dimethoxy-dihydrostilbene (), 3,6'-dihydroxy-4'-methoxy-dihydrostilbene () and 1,2,6-trihydroxy-3,8-dimethoxy-9,10-dihydrophenanthrene (), named cattleymediol, cattleyol and phenanmediol, respectively, in addition to other five known compounds (). The structural elucidations of the isolated compounds were carried out through the analyses of the one-dimensional H,³C and NOE NMR spectra, and the 2D HSQC, HMBC, COSY and NOESY spectra, besides high-resolution mass spectrometry. In addition to this, the crude extract and its main fractions were analysed by ultra-high performance liquid chromatography coupled to high resolution mass spectrometry (UHPLC-QTOF-MS/MS), leading to the putative identification of several other compounds, including flavonoids and organic acids derivatives.

Bioactive compounds by UHPLC-MS/MS and molecular networking from .

, commonly known as 'guamirim', was analysed using UHPLC-MS/MS and molecular networking. Hydroalcoholic extracts of leaves and stem bark were obtained using ethanol:water (70:30) as solvent. Chemical composition of the extracts was identified using UHPLC-MS/MS and tested for antioxidant activity and growth inhibition against and .

Discovery and structural optimization of a new series of N-acyl-2-aminobenzothiazole as inhibitors of Zika virus.

Zika virus infection is associated to severe diseases such as congenital microcephaly and Zika fever causing serious harm to humans and special concern to health systems in low-income countries. Currently, there are no approved drugs against the virus, and the development of anti-Zika virus drugs is thus urgent. The present investigation describes the discovery and hit expansion of a N-acyl-2-aminobenzothiazole series of compounds against Zika virus replication.

Synthesis of 1,2,3-Triazole-Containing Methoxylated Cinnamides and Their Antileishmanial Activity against the Species.

Leishmaniasis is a group of infectious diseases caused by protozoan parasites that belong to the genus . Currently, there is no human vaccine, and the available treatments are associated with toxicity, high cost, and the emergence of resistant strains. These factors highlight the need to identify new antileishmanial candidates.

Ultrasonication and thermosonication applied in the processing of jalapeno pepper ( var. ) sauce.

Ultrasonication is one of the non-thermal physical methods that can be used on foods and when used in synergy with temperature (thermosonication), this technique proves to be more effective, thus reducing the duration and intensity of heat treatment and the consequent damage to the foods. This work aimed to use the technique of ultrasonication and thermosonication in the processing of jalapeno pepper sauces in comparison with pasteurization. Two types of sauces were produced, one with pre-cooking (a) and the other without cooking (b), and the influence of time and temperature was analyzed by applying ultrasonication and thermosonication.

Hit-to-lead optimization of a pyrazinylpiperazine series against Leishmania infantum and Leishmania braziliensis.

An early hit-to-lead optimization of a novel pyrazinylpiperazine series against L. infantum and L. braziliensis has been performed after an extensive SAR focusing on the benzoyl fragment of hit (4).

Proteomic Investigation over the Antimicrobial Photodynamic Therapy Mediated by Rose Bengal Against Staphylococcus aureus.

In order, understanding the antimicrobial action of photodynamic therapy and how this technique can contribute to its application in the control of pathogens. The objective of the study was to employ a proteomic approach to investigate the protein profile of Staphylococcus aureus after antimicrobial photodynamic therapy mediated by rose bengal (RB-aPDT). S.

Ultra-high-performance liquid chromatography combined with electrospray ionization quadrupole time-of-flight mass spectrometry and molecular networking analysis to investigate the chemodiversity of bioactive extracts of Annona jahnii Saff. fungi from the Brazilian Amazon.

Rationale: Annona species are of interest for the isolation of bioactive molecules; however, studies of Annona jahnii Saff. are limited. The exploration of bioactive metabolites of endophytes isolated from this species is unprecedented and allows the preservation of the host plant, in addition to enabling the discovery of compounds with promising biological activities.

Molecular network-guided chemical profile and mass spectrometry, volatile compounds, and antimicrobial activity of Scaptotrigona depilis propolis.

Rationale: Propolis has a great diversity in its composition due to numerous factors; therefore, each study is an important contribution to the knoFwledge of its composition and biological action. The objective of this study was to determine the chemical profile and biological activity of propolis produced by Scaptotrigona depilis.

Methods: Extracts with 70% ethanol (EPE70) and with cereal alcohol (CAPE) were elaborated, and then characterized using UHPLC-ESI(+)-MS/MS.

Mill. (Cactaceae) as a source of natural antioxidants: Phenolic compounds and antioxidant activity of cladode extracts in two collection periods.

The economic potential of the cactus species Mill. (syn. K.

Biological Characterization and Antimicrobial Bioactives of Mycelium Extracts from Medicinal Mushrooms Phellinus linteus and Pleurotus albidus (Agaricomycetes).

Bioactivity is defined as the intrinsic property of compounds that enables their participation in specific biological reactions. This study aimed to evaluate the antimicrobial capacity and to separate and characterize bioactives from aqueous and hydroalcoholic extracts obtained from the mycelium of medicinal mushrooms Pleurotus albidus and Phellinus linteus. Antimicrobial activity, through the disc diffusion method, was found against strains of Bacillus cereus, B.

Characterization of Secondary Structure and Thermal Stability by Biophysical Methods of the D-alanyl,D-alanine Ligase B Protein from .

Background: Peptidoglycan (PG) is a key structural component of the bacterial cell wall and interruption of its biosynthesis is a validated target for antimicrobials. Of the enzymes involved in PG biosynthesis, D-alanyl,D-alanine ligase B (DdlB) is responsible for the condensation of two alanines, forming D-Ala-D-Ala, which is required for subsequent extracellular transpeptidase crosslinking of the mature peptidoglycan polymer.

Objective: We aimed at the biophysical characterization of recombinant Escherichia coli DdlB (EcDdlB), considering parameters of melting temperature (T), calorimetry and Van't Hoff enthalpy changes of denaturation ( ΔH and ΔH ), as well as characterization of elements of secondary structure at three different pHs.

2,5-Diketopiperazines via Intramolecular -Alkylation of Ugi Adducts: A Contribution to the Synthesis, Density Functional Theory Study, X-ray Characterization, and Potential Herbicide Application.

To investigate the herbicidal potential of 2,5-diketopiperazines (2,5-DKPs), we applied a known protocol to produce a series of 2,5-DKPs through intramolecular -alkylation of Ugi adducts. However, the method was not successful for the cyclization of adducts presenting aromatic rings with some substituents at the ortho position. Results from DFT calculations showed that the presence of voluminous groups at the ortho position of a benzene ring results in destabilization of the transition structure.

The Effect of Goethites on the Polymerization of Glycine and Alanine Under Prebiotic Chemistry Conditions.

After pre concentration of monomers, polymerization is the second most important step for molecular evolution. The formation of peptides is an important issue for prebiotic chemistry and consequently for the origin of life. In this work, goethite was synthesized by two different routes, named goethite-I and goethite-II.

PanB over-representation as part of pyrazinamide action: a proteomic insight.

Pyrazinamide (PZA) represents a milestone as a first-line antituberculosis drug due to its sterilizing activity against . The protein changes induced by subinhibitory PZA exposure of in acidic pH were evaluated by a proteomic approach. Among the 1059 proteins identified, the specific acidification in the culture medium induced the over-representation of MurF (Rv2157c), and its under-representation was induced by 12 h of PZA exposure.

Use of alginate edible coating and basil ( spp) extracts on beef characteristics during storage.

The effect of alginate edible coating and the addition of two levels of basil ( spp) on polyphenols, DPPH and ABTS activities, meat characteristics (lipid oxidation, pH, weight loss, texture, and color) during storage and on consumer acceptability were evaluated. Four treatments were developed: CON (control-without coating), AEC (with alginate edible coating), B01 (with alginate edible coating + 1% of basil extract) and B02 (with alginate edible coating + 2% of basil extract). The addition of basil increased the polyphenols and antioxidant activity of meat and reduced the lipid oxidation.

Metabolite profiles of energy cane and sugarcane reveal different strategies during the axillary bud outgrowth.

Commercial cultivation of sugarcane is usually carried out by planting culm segments (sett) carrying buds in their internodes. However, this is an inefficient practice due to high sprouting irregularity. In this work, we inspect the first stages of the physiological preparation of the culm for sprouting, trying to identify compounds that actively participate in this process.

Microalgae produced during phycoremediation of swine wastewater contains effective bacteriostatic compounds against antibiotic-resistant bacteria.

Studies on the antimicrobial effects of microalgae extracts are commonly reported using algae biomass grown in sterile synthetic mineral medium and controlled laboratory conditions. However, variations in environmental conditions and culture medium composition are known to alter microalgae biochemical structure possibly affecting the type and concentrations of bioactive compounds with antimicrobial properties. In this work, solvent extracts of the microalgae Chlorella spp.

Soybean Metabolomics Based in Mass Spectrometry: Decoding the Plant's Signaling and Defense Responses under Biotic Stress.

Metabolomics is an omics technology that is extremely valuable to analyze all small-molecule metabolites in organisms. Recent advances in analytical instrumentation, such as mass spectrometry combined with data processing tools, chemometrics, and spectral data libraries, allow plant metabolomics studies to play a fundamental role in the agriculture field and food security. Few studies are found in the literature using the metabolomics approach in soybean plants on biotic stress.