3,612 research outputs found
Identifying new isatin derivatives with GSK-3 inhibition capacity through molecular docking and bioassays
The semi-synthesis of 11 isatin derivatives was achieved through bimolecular nucleophilic substitution and click chemistry. Seven new compounds were obtained. All chemical structures were determined by infrared spectroscopy (IR), nuclear magnetic resonance spectrometry (NMR) and high-resolution mass spectrometry (HRMS) data. These derivatives were evaluated for their anti-GSK-3 activity and all isatin derivatives (N-alkyl and 1,2,3-triazolic) exhibited strong inhibitory activity, with 2b and 4h exhibiting remarkable potency. In addition, docking studies were performed with 2b and 2e models to unravel the molecular mechanism underlying the polar interactions on the GSK-3 ATP-binding site.This study was funded by the Coordenação de Aperfeiçoamento de Pessoal de NĂvel Superior, Brasil
(CAPES), Finance Code 001, by the National Council of Scientific and Technological Development (CNPq)
and Foundation of Support to Research and Innovation of EspĂrito Santo (FAPES PPE-Agro No. 76418880/16). We also would like to acknowledge INCTBioNat (CNPq 465637/2014-0) for additional support and NCQP-UFES, as well as the Portuguese Foundation for Science and Technology (FCT) under the scope of the strategic funding of UID/BIO/04469/2019 unit and BioTecNorte operation (NORTE-01-0145-FEDER-000004) funded
by the European Regional Development Fund under the
scope of Norte2020, Programa Operacional Regional
do Norte. L. R. R. also acknowledges her sabbatical
leave fellowship (SFRH/BSAB/142991/2018) funded
by FCT. D. F. is recipient of a doctoral fellowship (call
NORTE-69-2015-15) funded by the European Social Fund
under the scope of Norte2020, Programa Operacional
Regional do Norte.info:eu-repo/semantics/publishedVersio
Antioxidant capacity and toxicological evaluation of pterospartum tridentatum flower extracts
Pterospartum tridentatum Willk. (prickled broom) is an autochthonous plant, common
in Portuguese territory.
The yellow flowers are used in traditional medicine, as a potential cure for all body
illnesses, mainly for throat irritation treatment or for diabetes, hypertension and
hypercholesterolemia therapy.Despite its traditional use, no toxicological assessment has been performed as we know.
A high antioxidant activity of P. tridentatum flower water extract was acessed in good
agreement with its ESI-MS spectrum that revealed the presence of several flavonoids, as
luteolin-O-(O-acetyl)-glucuronide, luteolin-O- glucuronide or isorhamnetin-O-hexoside.
Mitocondrial respiratory rates (state 4, state 3 and FCCP-stimulated respiration) and
respiratory indexes (respiratory control and P/O ratios) showed no consistent decrease
of respiratory and phosphorylative efficiencies for the concentrations tested (up to 500
ÎŒg.mL-1). Cytotoxicity evaluation, using MTT assay, was reliable with the previous
results. In conclusion, for the concentration range commonly used P. tridentatum
flowers usage can be regarded as harmless and trustworthy
Self-Organizing Maps of Molecular Descriptors for Sesquiterpene Lactones and Their Application to the Chemotaxonomy of the Asteraceae Family
The Asteraceae, one of the largest families among angiosperms, is chemically characterised by the production of sesquiterpene lactones (SLs). A total of 1,111 SLs, which were extracted from 658 species, 161 genera, 63 subtribes and 15 tribes of Asteraceae, were represented and registered in two dimensions in the SISTEMATX, an in-house software system, and were associated with their botanical sources. The respective 11 block of descriptors: Constitutional, Functional groups, BCUT, Atom-centred, 2D autocorrelations, Topological, Geometrical, RDF, 3D-MoRSE, GETAWAY and WHIM were used as input data to separate the botanical occurrences through self-organising maps. Maps that were generated with each descriptor divided the Asteraceae tribes, with total index values between 66.7% and 83.6%. The analysis of the results shows evident similarities among the Heliantheae, Helenieae and Eupatorieae tribes as well as between the Anthemideae and Inuleae tribes. Those observations are in agreement with systematic classifications that were proposed by Bremer, which use mainly morphological and molecular data, therefore chemical markers partially corroborate with these classifications. The results demonstrate that the atom-centred and RDF descriptors can be used as a tool for taxonomic classification in low hierarchical levels, such as tribes. Descriptors obtained through fragments or by the two-dimensional representation of the SL structures were sufficient to obtain significant results, and better results were not achieved by using descriptors derived from three-dimensional representations of SLs. Such models based on physico-chemical properties can project new design SLs, similar structures from literature or even unreported structures in two-dimensional chemical space. Therefore, the generated SOMs can predict the most probable tribe where a biologically active molecule can be found according Bremer classification.CNPqCNPqUEPBUEP
Biodiesel derived from microalgae: advances and perspectives
Microalgae are a promising source of raw material for biodiesel production. This review discusses the latest developments related to the application of microalgae biomass for biodiesel production. Characterization of fatty acid of microalgae and comparisons with other sources of raw materials and processes are presented. Furthermore, technological perspectives and approaches for growing microalgae in photobioreactors, microalgal oil extraction techniques, and procedures for synthesizing biodiesel are reviewed
A construção de uma arena ambiental para a conservação da biodiversidade marinha no Chile
Measurement of the relative rate of prompt Ïc0, Ïc1 and Ïc2 production at âs=7TeV
Prompt production of charmonium Ïc0, Ïc1 and Ïc2 mesons is studied using proton-proton collisions at the LHC at a centre-of-mass energy of âs=7TeV. The Ïc mesons are identified through their decay to J/ÏÎł, with J/ÏâÎŒ+muâ using photons that converted in the detector. A data sample, corresponding to an integrated luminosity of 1.0fbâ1 collected by the LHCb detector, is used to measure the relative prompt production rate of Ïc1 and Ïc2 in the rapidity range 2.0<y<4.5 as a function of the J/Ï transverse momentum from 3 to 20 GeV/c. First evidence for Ïc0 meson production at a hadron collider is also presented
Differential branching fraction and angular analysis of the decay B0âKâ0ÎŒ+ÎŒâ
The angular distribution and differential branching fraction of the decay B 0â K â0 ÎŒ + ÎŒ â are studied using a data sample, collected by the LHCb experiment in pp collisions at sâ=7 TeV, corresponding to an integrated luminosity of 1.0 fbâ1. Several angular observables are measured in bins of the dimuon invariant mass squared, q 2. A first measurement of the zero-crossing point of the forward-backward asymmetry of the dimuon system is also presented. The zero-crossing point is measured to be q20=4.9±0.9GeV2/c4 , where the uncertainty is the sum of statistical and systematic uncertainties. The results are consistent with the Standard Model predictions
Study of B0(s)âK0Sh+hâČâ decays with first observation of B0sâK0SK±Ïâ and B0sâK0SÏ+Ïâ
A search for charmless three-body decays of B 0 and B0s mesons with a K0S meson in the final state is performed using the pp collision data, corresponding to an integrated luminosity of 1.0 fbâ1, collected at a centre-of-mass energy of 7 TeV recorded by the LHCb experiment. Branching fractions of the B0(s)âK0Sh+hâČâ decay modes (h (âČ) = Ï, K), relative to the well measured B0âK0SÏ+Ïâ decay, are obtained. First observation of the decay modes B0sâK0SK±Ïâ and B0sâK0SÏ+Ïâ and confirmation of the decay B0âK0SK±Ïâ are reported. The following relative branching fraction measurements or limits are obtained B(B0âK0SK±Ïâ)B(B0âK0SÏ+Ïâ)=0.128±0.017(stat.)±0.009(syst.), B(B0âK0SK+Kâ)B(B0âK0SÏ+Ïâ)=0.385±0.031(stat.)±0.023(syst.), B(B0sâK0SÏ+Ïâ)B(B0âK0SÏ+Ïâ)=0.29±0.06(stat.)±0.03(syst.)±0.02(fs/fd), B(B0sâK0SK±Ïâ)B(B0âK0SÏ+Ïâ)=1.48±0.12(stat.)±0.08(syst.)±0.12(fs/fd)B(B0sâK0SK+Kâ)B(B0âK0SÏ+Ïâ)â[0.004;0.068]at90%CL
Observation of two new baryon resonances
Two structures are observed close to the kinematic threshold in the mass spectrum in a sample of proton-proton collision data, corresponding
to an integrated luminosity of 3.0 fb recorded by the LHCb experiment.
In the quark model, two baryonic resonances with quark content are
expected in this mass region: the spin-parity and
states, denoted and .
Interpreting the structures as these resonances, we measure the mass
differences and the width of the heavier state to be
MeV,
MeV,
MeV, where the first and second
uncertainties are statistical and systematic, respectively. The width of the
lighter state is consistent with zero, and we place an upper limit of
MeV at 95% confidence level. Relative
production rates of these states are also reported.Comment: 17 pages, 2 figure
Study of DJ meson decays to D+Ïâ, D0Ï+ and Dâ+Ïâ final states in pp collisions
A study of D+Ïâ, D0Ï+ and Dâ+Ïâ final states is performed using pp collision data, corresponding to an integrated luminosity of 1.0 fbâ1, collected at a centre-of-mass energy of 7 TeV with the LHCb detector. The D1(2420)0 resonance is observed in the Dâ+Ïâ final state and the Dâ2(2460) resonance is observed in the D+Ïâ, D0Ï+ and Dâ+Ïâ final states. For both resonances, their properties and spin-parity assignments are obtained. In addition, two natural parity and two unnatural parity resonances are observed in the mass region between 2500 and 2800 MeV. Further structures in the region around 3000 MeV are observed in all the Dâ+Ïâ, D+Ïâ and D0Ï+ final states
- âŠ