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Arylated analogues of cypronazole: fungicidal effect and activity on human fibroblasts. Docking analysis and molecular dynamics simulations

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Natural Products and Bioprospecting 2022年第1期12卷 107-120页

作者： Natividad Herrera Cano Sebastian A.Andujar Cristina Theoduloz Daniel A.Wunderlin Ana N.Santiago Guillermo Schmeda-Hirschmann Ricardo D.Enriz Gabriela E.Feresin Instituto de Biotecnología Facultad de IngenieríaUniversidad Nacional de San JuanCONICET-CCT San JuanAv.Libertador General San Martín1109(O)5400 San JuanArgentina Facultad de Química Bioquímica y Farmacia-IMIBIO-SL(CONICET)Universidad Nacional de San LuisChacabuco 9155700 San LuisArgentina laboratorio de Cultivo Celular Facultad de Ciencias de la SaludUniversidad de TalcaCasilla 7473460000 TalcaChile ICYTAC CONICET and Universidad Nacional de CórdobaFacultad de Ciencias QuímicasDepartamentoQuímica OrgánicaCiudad UniversitariaBv.Juan Filloy s/n5000 CórdobaArgentina INFIQC CONICET and Universidad Nacional de CórdobaFacultad de Ciencias QuímicasDepartamento Química OrgánicaCiudad UniversitariaHaya de La Torre S/N5000 CórdobaArgentina laboratorio de Química de Productos Naturales Instituto de Química de Recursos NaturalesUniversidad de TalcaCasilla 7473460000 TalcaChile

Triadimefon(TDM)and cyproconazole(CPZ)are two triazoles widely used as fungicides.Several azoles were synthe-sised starting from commercial TDM and CPZ.The compounds were evaluated against phytopathogenic filamentous fungi,including Aspergillus fumigatus(AF),A.niger(AN),A.ustus(AU),A.japonicus(AJ),A.terreus(AT),Fusarium oxyspo-rum and Botrytis cinerea isolated from grapevine in the province of San Juan,Argentina.Three of the synthesised compounds(1-(Biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one,1;2-(Biphenyl-4-yl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol,3;3-Cyclopropyl-2-(4’-fluorobiphenyl-4-yl)-1-(1H-1,2,4-triazol1-yl)butan-2-ol,4)presented remarkable in vitro fungicidal properties,with better effects than TDM and CPZ on some of the target fungi.Cytotoxicity was assessed using human lung fibroblasts MRC5.derivative 1,with IC50 values of 389.4μM,was less toxic towards MRC-5 human lung fibroblasts than commercial TDM(248.5μM)and CPZ(267.4μM).Docking analysis and molecular dynamics simulations suggest that the compounds present the same interaction in the binding pocket of the CYP51B enzyme and with the same amino acids as CPZ.The derivatives investigated could be considered broad-spectrum but with some selectivity towards imperfect fungi.

关键词： Azoles Antifungal cytotoxicity Conformational and electronic analysis

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Comparative mitogenome phylogeography of two anteater genera (Tamandua and Myrmecophaga;Myrmecophagidae, Xenarthra): Evidence of discrepant evolutionary traits

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Zoological Research 2021年第5期42卷 525-547页

作者： Manuel Ruiz-García Daniel Pinilla-Beltrán Oscar E.Murillo-García Christian Miguel Pinto Jorge Brito Joseph Mark Shostell laboratorio de Genética de Poblaciones Molecular-Biología Evolutiva Departamento de BiologíaFacultad de CienciasPontificia Universidad JaverianaBogotáDC 110231Colombia Grupo de Investigación en ecología Animal Departamento de BiologíaFacultad de Ciencias Naturales y ExactasUniversidad del ValleApartado AéreoCali 25360Colombia Instituto de Ciencias Biológicas Escuela Politécnica NacionalQuito 17012759Ecuador Instituto Nacional de Biodiversidad(INABIO) Quito 170135Ecuador Math Science and Technology DepartmentUniversity of Minnesota CrookstonCrookstonMN 56716USA

The species within Xenarthra(sloths,anteaters,and armadillos)are quintessential South American mammals.Of the three groups,Vermilingua(anteaters)contains the fewest extant and paleontological species.Here,we sampled and sequenced the entire mitochondrial genomes(mitogenomes)of two Tamandua species(Tamandua tetradactyla and T.mexicana)(n=74)from Central and South America,as well as Myrmecophaga tridactyla(n=41)from South America.Within Tamandua,we detected three different haplogroups.The oldest(THI)contained many specimens with the T.tetradactyla morphotype(but also several with the T.mexicana morphotype)and originated in southeastern South America(currently Uruguay)before moving towards northern South America,where the THII haplogroup originated.THII primarily contained specimens with the T.mexicana morphotype(but also several with the T.tetradactyla morphotype)and was distributed in Central America,Colombia,and Ecuador.THI and THII yielded a genetic distance of 4%.THII originated in either northern South America or“in situ”in Central America with haplogroup THIII,which consisted of~50%T.mexicana and 50%T.tetradactyla phenotypes.THIII was mostly located in the same areas as THII,i.e.,Central America,Ecuador,and Colombia,though mainly in the latter.The three haplogroups overlapped in Colombia and Ecuador.Thus,T.tetradactyla and T.mexicana were not reciprocally monophyletic.For this reason,we considered that a unique species of Tamandua likely exists,i.e.,T.tetradactyla.In contrast to Tamandua,M.tridactyla did not show different morphotypes throughout its geographical range in the Neotropics.However,two very divergent genetic haplogroups(MHI and MHII),with a genetic distance of~10%,were detected.The basal haplogroup,MHI,originated in northwestern South America,whereas the more geographically derived haplogroup,MHII,overlapped with MHI,but also expanded into central and southern South America.Thus,Tamandua migrated from south to north whereas Myrmecophaga migrated from north to south.Our results also showed that tem

关键词： Anteaters Genetic diversity Mitogenomes Myrmecophaga Neotropics Phylogeography Spatial structure Tamandua

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Patch isolation and shape predict plant functional diversity in a naturally fragmented forest

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Journal of Plant ecology 2018年第1期11卷 136-146页

作者： Amaranta Arellano-Rivas J.Arturo de-Nova Miguel A.Munguía-Rosas Instituto de Investigación de Zonas desérticas Universidad Autónoma de San Luís PotosíSan Luis Potosí78377México laboratorio de ecología Terrestre Departamento de Ecología HumanaCentro de Investigación y Estudios Avanzados del Instituto Politécnico Nacional(CINVESTAV)Mérida 97310México Facultad de Agronomía Universidad Autónoma de San Luís PotosíSan Luis Potosí78321México

Aims It is known that taxonomic diversity can be predicted by the spatial configuration of the habitat,in particular by its area and degree of iso-lation.However,taxonomic diversity is a poor predictor of ecosystem functioning.While functional diversity is strongly linked to the func-tionality and stability of ecosystems,little is known about how changes in the spatial configuration of the habitat affect functional diversity.In this study,we evaluated whether the spatial configuration of forest patches predicts the functional diversity of plants in a fragmented forest.Methods Five functional leaf traits(leaf dry matter content,leaf punch force,specific leaf area,leaf size and leaf thickness)were measured for 23 dominant plant species in 20 forest patches in a naturally fragmented forest on the yucatan Peninsula.Abundance-weighted multivariate and individual trait metrics of functional diversity were calculated and cor-related with size,degree of isolation and the shape of forest patches.Important Findings Patch shape was negatively correlated with multivariate and individ-ual trait(leaf dry matter content and leaf size)metrics of functional diversity.Patch isolation measures were also negatively correlated with individual trait(leaf dry matter content,leaf punch force and leaf size)metrics of functional diversity.In other words,greater patch shape irregularity and isolation degree impoverish plant func-tional variability.This is the first report of the negative effects of patch shape irregularity and isolation on the functional diversity of plant communities in a forest that has been fragmented for a long time.

关键词： forest fragmentation functional diversity habitat spatial configuration petenes yucatan

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Exclusion of tourist species from assemblages in ecological studies:a methodological approach using spiders

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ecological Processes 2022年第1期11卷 825-844页

作者： María Florencia Nadal Alda González Gilberto Avalos Consejo Nacional de Investigaciones Científicas y Técnicas(CONICET) Buenos AiresArgentina laboratorio de Biología de los Artrópodos Facultad de Ciencias Exactas y Naturales y AgrimensuraUniversidad Nacional del NordesteAvenida Libertad 54703400 CorrientesArgentina Centro de Estudios Parasitológicos y de Vectores(CEPAVE-UNLP) Boulevard 120 s/n(e/60-64)1900 La PlataArgentina

Background:The exclusion of tourist species from samples is important to avoid bias in community analyses.However,in practice,this is a very difficult task.The commonly used methods by researchers,when the habitat of the species is not known,have several shortcomings:first,they exclude not only pseudo-rare species but also genuinely rare species;second,the results obtained with those methods depend on the abundance of the sampling;and third,they follow very subjective rules.The aims of this study were:(i)to propose a methodology to detect and exclude habitat-tourist species from the database used to carry out analyses in community ecology studies,(ii)to evaluate how the presence of habitat-tourist species affects the richness estimates,and(iii)to assess the effect of including juvenile spiders in the detection of tourist species and the effect of removing them from the richness estimates.Results:When the adult+juvenile dataset was considered,twenty-one habitat-tourist species were detected:8 in forest foliage,11 in forest leaf litter,and 2 in grassland.When habitat-tourist species were considered with this dataset,richness overestimation was significant in foliage and in leaf litter,and the final slopes of the richness estimation curves were significantly steeper in leaf litter.When only the adult dataset was considered,eight habitat-tourist species were detected:3 in forest foliage,4 in forest leaf litter,and just one in grassland.The inclusion of habitat-tourist species in this dataset showed an overestimation of richness,but this was not significant.Conclusions:The proposed methodology contributes to solving the problem of tourist species,which was recognized as one of the great problems in biodiversity studies.This study showed that common estimators overestimate species richness when habitat-tourist species are included,leading to erroneous conclusions.Besides,this research showed that the inclusion of juveniles(e.***.spiders)could improve the analysis outputs because it allowed the detection of more habitat-t

关键词： Pseudo-rare species Richness estimation Indicator value Habitat

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X-linked Toll-like receptor 7 polymorphism associated with susceptibility to Chikungunya Fever

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Asian Pacific Journal of Tropical Medicine 2019年第3期12卷 137-141页

作者： Daniela M.Rauseo Mercedes Fernández-Mestre laboratorio de Fisiopatología Centro de Medicina ExperimentalIVIC

Objective: To investigate the association between TLR3 and TLR7 polymorphisms with susceptibility and clinical manifestations of Chikungunya Fever.Methods: A total of 177 individuals were studied: 73 patients with a confirmed diagnosis for Chikungunya virus and 104 non-infected individuals. Polymorphisms were determined by Polymerase Chain Reaction-Restriction Fragment Length Polymorphism(PCR-RFLP).Results: Our analysis showed an increased CC genotype frequency of the TLR7 rs3853839 polymorphism in male patients compared to control(29% versus 2%,respectively; OR=20.69; 95% CI=2.55-167.36; P<0.001). Furthermore,arthritis(acute and chronic) was frequently found in CC male patients. On the contrary,65% of CG carriers were no-infected males(29% versus 65%,respectively; OR=0.23,95% CI=0.48-3.04; P=0.002). Finally,we observed a higher frequency of lymphopenia in CG male patients(CG=666.86±233.77,GG=1,314.27±752.29 cells/mm3,P=0.047). Conclusions: Our results suggest the TLR7 rs3853839 polymorphism is associated with lymphopenia and increased susceptibility to Chikungunya Fever in males.

关键词： Chikungunya Fever Toll-like-receptors Single-nucleotide polymorphisms Disease susceptibility

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Neuroinflammation and oxidative stress act in concert to promote neurodegeneration in the diabetic retina and optic nerve:galectin-3 participation

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Neural Regeneration Research 2020年第4期15卷 625-635页

作者： Henrique Rocha Mendonca Raul Carpi-Santos Karin da Costa Calaza Ana Maria Blanco Martinez laboratorio de Neurodegeneracao e Reparo Departamento de PatologiaPrograma de Pos-graduacao em Anatomia PatologicaFaculdade de MedicinaHospital Universitrio Clementino Fraga FilhoFederal University of Rio de JaneiroRio de JaneiroBrazil Polo Universitario Macae Unidade Integrada de Pesquisa em Produtos Bioativos e BiocienciasFederal University of Rio de JaneiroMacaeBrazil laboratorio Integrado de Morfologia Instituto de Biodiversidade e SustentabilidadeNucleo de Pesquisas Ecologicas de MacaeFederal University of Rio de JaneiroMacaeBrazil laboratorio de Neurobiologia Celular Instituto de Ciencias BiomedicasCentro de Ciencias da SaudeFederal University of Rio de JaneiroRio de JaneiroBrazil laboratorio de Neurobiologia da Retina Departamento de NeurobiologiaPrograma de Pos-Graduacao em NeurocienciasFluminense Federal UniversityNiteroiBrazil

Diabetes is a lifelong disease characterized by glucose metabolic imbalance,in which low insulin levels or impaired insulin signaling lead to hyperglycemic state.Within 20 years of diabetes progression,95%of patients will have diabetic retinopathy,the leading cause of visual defects in working-age people worldwide.Although diabetes is considered a microvascular disease,recent studies have shown that neurodegeneration precedes vascular changes within the diabetic visual system,albeit its mechanisms are still under investigation.Neuroinflammation and oxidative stress are intrinsically related phenomena,since macrophage/microglia and astrocytes are the main sources of reactive oxygen species during central nervous system chronic degenerative diseases,and both pathological processes are increased in the visual system during diabetes.The present review will focus on recent findings of the contribution of oxidative stress derived from neuroinflammation in the early neurodegenerative aspects of the diabetic visual system and their relationship with galectin-3.

关键词： diabetes diabetic retinopathy galectin-3 neurodegeneration neuroinflammation optic nerve oxidative stress retina

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Ayahuasca:Uses,Phytochemical and Biological Activities

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Natural Products and Bioprospecting 2019年第4期9卷 251-265页

作者： Edgar Antonio Estrella‑Parra Julio Cesar Almanza‑Pérez Francisco Javier Alarcón‑Aguilar laboratorio de Farmacología.Dpto.Ciencias de la Salud.Div.C.B.S.Universidad Autónoma Metropolitana Unidad Iztapalapa.Av.San Rafael Atlixco No.186Col.Vicentina09340 Mexico CDMXMexico laboratorio de Fitoquímica Laboratorio de FarmacognosiaLaboratorio de Fisiología VegetalUnidad UBIPROFES-IztacalaUNAMTlalnepantla de Baz54090 Mexico CDMXMexico

Ayahuasca(caapi,yajé),is a psychoactive brew from the Amazon Basin region of South America traditionally considered a“master plant.”It is prepared as a decoction from Banisteriopsis caapi and Psychotria viridis,which it is thought that it stimulates creative thinking and visual creativity.Native healers of the Orinoco and Amazon basins have used traditionally ayahuasca as a healing tool for multiple purposes,particularly to treat psychological disorders in the patients,with some beneficial effects experimentally and clinically validated.Recently,several syncretic religions,as the“Uniao de Vegetal”(UDV)group in Brazil,have been spread around the world.The use of ayahuasca has been popularized by internet and smart-shops,bringing the psychoactive substance to new highs,emerging new“ayahuasqueros.”Ayahuasca has alkaloids asβ-carbolines and dimethyltryptamines,which inhibit the monoamine oxidase and active the 5-HT_(2A)(5-hydroxytryptamine)receptor,respectively,resulting in hallucinations in the users.Ayahuasca induces a psychedelic change in the anteroposterior coupling of the electrophysiological brain oscillations in humans.Traditional ayahuasca beverage is generating pharmacological,commercial and spiritual interest among the scientific community,government people,and different populations worldwide.The goal of this article is to report about the uses,chemistry and biological activities of ayahuasca.

关键词： Ayahuasca Banisteriopsis caapi Psychotria viridis-dimethyltryptamine β-carbolines Psychotherapy

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Edaphoclimatic seasonal trends and variations of the Salmonella spp. infection in Northwestern Mexico

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Infectious Disease Modelling 2021年第1期6卷 805-819页

作者： Yasiri Mayeli Flores Monter Andrea Chaves Beatriz Arellano-Reynoso Andres Mauricio Lopez-Perez Humberto Suzan-Azpiri Gerardo Suzan Facultad de Medicina Veterinaria y Zootecnia Universidad Nacional Autonoma de MexicoMexico City04510Mexico Escuela de Biología Universidad de Costa RicaSan Jose11501-2060Costa Rica department of Medicine and Epidemiology School of Veterinary MedicineUniversity of CaliforniaDavisCA95695United States laboratorio de ecología Universidad Autonoma de Queretaro76230Mexico

Currently,Salmonella spp.is the bacterium causing the highest number of food-borne diseases(FADs)in the world.It is primarily associated with contaminated water used to that irrigates crops from intensive livestock farming.However,literature emphasizes that the reservoirs for Salmonella spp.remain in wildlife and there are unconventional sources or secondary reservoirs,such as soil.Human soil-borne diseases have not been modeled in spatial scenarios,and therefore it is necessary to consider soil and other climatic factors to anticipate the emergence of new strains or serotypes with potential threat to public and animal health.The objective of this research was to investigate whether edaphic and climatic factors are associated with the occurrence and prevalence of Salmonella spp.in Northwestern Mexico.We estimated the potential distribution of Salmonella spp.with an interpolation method of unsampled kriging areas for 15 environmental variables,considering that these factors have a seasonal dynamic of change during the year and modifications in longer periods.Subsequently,a database was generated with human salmonellosis cases reported in the epidemiological bulletins of the National System of Epidemiological Surveillance(SIVE).For the Northwest region,there were 30,595 human cases of paratyphoid and other salmonellosis reported have been reported in Baja California state,71,462 in Chihuahua,and 16,247 in Sonora from 2002 to 2019.The highest prevalence was identified in areas with higher temperatures between 35 and 37℃,and precipitation greater than 1000 mm.The edaphic variables limited the prevalence and geographical distribution of Salmonella spp.,because the region is characterized by presenting a low percentage of organic matter(≤4.3),and most of the territory is classified as aridic and xeric,which implies that the humidity comprises≤180 days a year.Finally,the seasonal time series indicated that in the states of Baja California and Chihuahua the rainy quarter of the year is 18.7%and 17.01%above a typical quar

关键词： Potential distribution Soil Temperature Precipitation Salmonella spp

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Habitat use in eight populations of Sceloporus grammicus(Squamata:Phrynosomatidae)from the Mexican Plateau

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Integrative Zoology 2017年第3期12卷 198-210页

作者： Adrian LEYTE-MANRIQUE Uriel HERNÁNdeZ-SALINAS Aurelio RAMÍREZ-BAUTISTA Vicente MATA-SILVA Jonathon C.MARSHALL laboratorio de Biología Instituto Tecnológico Superior de SalvatierraSalvatierraGuanajuatoMexico Instituto Politécnico Nacional CIIDIR Unidad DurangoSigma 119Fraccionamiento 20 de Noviembre IIDurangoDurango 34220México laboratorio de ecología de Poblaciones Centro de Investigaciones BiológicasUniversidad Autónoma del Estado de HidalgoKm 4.5 carretera Pachuca-Tulancingo42184Mineral de la ReformaHidalgoMexico department of Biological Sciences The University of Texas at El PasoEl PasoTexasUSA department of Zoology Weber State University1415 Edvalson StreetOgdenUtahUSA

Studies on habitat use have often helped explain observed variation in morphology,behavior and reproductive characteristics among populations within a single species.Here we analyze morphological and ecological characteristics of individuals from the Sceloporus grammicus species complex from 7 different localities(CER,El Cerezo;PAC,Pachuca;HUI,Huichapan;EZA,Emiliano Zapata;SMR,San Miguel Regla;LMJ,La Mojonera;and LMZ,La Manzana)in the state of Hidalgo,and one locality(Cahuacán)in the State of Mexico.A canonical correspondence analysis(CCA)showed that females from PAC,EZA,LMZ,HUI,SMR and CAH populations use similar microhabitats characterized mostly by bare soil,in females from LMJ and CER use microhabitats characterized primarily by vegetation and rocks.Females were observed using 12 different types of perches.With regard to perch height use,the CCA showed that females from PAC,LMJ,LMZ,SMR,CER and CAH populations were correlated with height to nearest perch(HNP),in the rest of the females were not related to any perch use variable.In contrast,the CCA showed that males from PAC,LMJ and CAH were characterized by microhabitats with higher vegetal coverage,while males from LMZ and CER used microhabitats composed of bare soil,but males from HUI and SMR populations used microhabitats composed chiefly of bare soil and rocks.With respect to perch height use,the CCA showed that males from PAC,LMJ,EZA and LMZ were correlated with distance to the nearest perch,but the rest of the males were not correlated with any perch use variables.Males were observed in 9 different perch types.The males were larger than the females in all morphological variables analyzed.Moreover,in both sexes the snout-vent length is positively correlated with all morphological variables,and although both the slope and ordinate of the origin of all morphological variables were larger in males than females,the analysis of covariance indicated that there is no increase in the morphological variables with increasing SVL between sexes.Our results suggest th

关键词： canonical correspondence analyses habitat use morphology populations Sceloporus grammicus

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Geothermal Diatoms: Seasonal Variability in the El Tatio Geothermal Field (Altiplano, Chile)

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Advances in Microbiology 2018年第3期8卷 211-234页

作者： Alejandro Angel Irma Vila Carolina Díaz Ximena Molina Paola Sepúlveda Faculty of Science Universidad de Chile Santiago Chile laboratorio Ambiental Centro de ecología Aplicada Santiago Chile

Diatom floras were examined in a high-altitude geothermal field, 4200 - 4500 m (29°19'S 68°W'), located in the Central Andean dry Puna ecoregion or southern Altiplano. These locations include hostile environments subjecting living organisms to extreme conditions. The aim of the present study was to investigate the spatial patterns and describe the response of diatom assemblages to differences in physical and chemical variables. Different shallow (Achnanthidium exiguum (Grunow) Czarnecki, Cocconeis placentula var. lineata (Ehrenberg) Van Heurck, Eolimna minima (Grunow) Lange-Bertalot, Staurosirella pinnata (Ehrenberg) Williams and Round, Navicula gregaria Donkin, Nitzschia inconspicua Grunow, Nitzschia palea (Kützing) Smith, Nitzschia perminuta (Grunow) Peragallo, and Planothidium lanceolatum (Brébisson ex Kützing) Lange-Bertalot. As expected, the 20 to 200 μm-size fraction contained the highest numbers of diatom taxa (53 species), although an unexpectedly high number (47 species) were also found in the smaller 5 to 20 μm-size fraction, more associated to fumaroles and saline systems. The 180 to 2000 μm size fraction contained only two species, including rosette-forming diatom Ulnaria ulna (Nitzsch) Compère, and the unicellular species Surirella chilensis Janisch, both species exclusively reported in freshwater systems. Canonical correspondence analysis (CCA) and Monte Carlo permutation tests showed clear correlations between species, conductivity, TP (total phosphorous), NO3- , HO3- , Mg2+, temperature and dissolved oxygen (DO). The gradient of ionic composition values explaining most variation in diatom assemblages ranged from waters dominated by Ca2+ and SO4- to waters with higher proportions of Na+, K+, F-, Li+, Mg2+ and Cl-. Other factors include substrate type, presence of macrophytes, current velocity and other local environmental conditions. The results presented here enhance our understanding of diatom richness/composition in hostile environments from a high-altitude arid and semi-arid geothermal region.

关键词： Canonical Correspondence Analysis Cluster Conductivity Fumaroles Size Fraction

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