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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 *** azoles were synthe-sised starting from commercial TDM and *** compounds were evaluated against phytopathogenic filamentous fungi,including Aspergillus fumigatus(AF),***(An),***(AU),***(AJ),***(AT),Fusarium oxyspo-rum and Botrytis cinerea isolated from grapevine in the province of San Juan,*** 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 *** was assessed using human lung fibroblasts *** 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 *** 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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Resilience to structural and molecular changes in excitatory synapses in the hippocampus contributes to cognitive function recovery in Tg2576 mice

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neural Regeneration Research 2024年第9期19卷 2068-2074页

作者： Carolina Aguado Sara Badesso JoséMartínez-Hernández Alejandro Martín-Belmonte Rocío Alfaro-Ruiz Miriam Fernández ana Esther Moreno-Martínez Mar Cuadrado-Tejedor ana García-Osta Rafael Luján Synaptic Structure Laboratory Instituto de Investigación en Discapacidades Neurológicas(IDINE)Department of Medical SciencesFacultad de MedicinaUniversidad de Castilla-La ManchaCampus BiosanitarioAlbaceteSpain Gene Therapy for neurological Disease Program Center for Applied Medical Research(CIMA)University of NavarraInstituto de Investigación Sanitaria de Navarra(IdiSNA)PamplonaSpain Pharmacology Unit Department of Pathology and Experimental TherapeuticsFaculty of Medicine and Health SciencesInstitute of NeurosciencesUniversity of BarcelonaBarcelonaSpain neuropharmacology and Pain Group Neuroscience ProgramInstitut d’InvestigacióBiomèdica de BellvitgeIDIBELLL’Hospitalet de LlobregatSpain Department of Pathology Anatomy and PhysiologySchool of MedicineUniversity of NavarraPamplonaSpain UniversitéGrenoble Alpes Grenoble Institut des NeurosciencesGrenobleFrance

Plaques of amyloid-β(Aβ)and neurofibrillary tangles are the main pathological characteristics of Alzheimer’s disease(AD).However,some older adult people with AD pathological hallmarks can retain cognitive *** the factors that lead to this cognitive resilience to AD offers promising prospects for identifying new therapeutic *** hypothesis focuses on the contribution of resilience to changes in excitatory synapses at the structural and molecular levels,which may underlie healthy cognitive performance in aged AD *** the Morris Water Maze test,we selected resilient(asymptomatic)and cognitively impaired aged Tg2576 *** the enzyme-linked immunosorbent assay showed similar levels of Aβ42 in both experimental groups,western blot analysis revealed differences in tau pathology in the pre-synaptic supernatant *** further investigate the density of synapses in the hippocampus of 16-18 month-old Tg2576 mice,we employed stereological and electron microscopic *** findings indicated a decrease in the density of excitatory synapses in the stratum radiatum of the hippocampal CA1 in cognitively impaired Tg2576 mice compared with age-matched resilient Tg2576 and non-transgenic ***,through quantitative immunoelectron microscopy in the hippocampus of impaired and resilient Tg2576 transgenic AD mice,we uncovered differences in the subcellular localization of glutamate ***,the density of GluA1,GluA2/3,and mGlu5 in spines and dendritic shafts of CA1 pyramidal cells in impaired Tg2576 mice was significantly reduced compared with age-matched resilient Tg2576 and non-transgenic ***,the density of GluA2/3 in resilient Tg2576 mice was significantly increased in spines but not in dendritic shafts compared with impaired Tg2576 and non-transgenic *** subcellular findings strongly support the hypothesis that dendritic spine plasticity and synaptic machinery in the hippocampus play cr

关键词： aging Alzheimer´s disease cognitive hippocampus immunoelectron microscopy resilience synapse

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Synthesis and applications of lanthanoid complexes of pentadentate and hexadentate n_(5) and n_(6) macrocycles:A review

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Journal of Rare Earths 2024年第1期42卷 1-15,I0001页

作者： Julio Corredoira-Vázquez Cristina González-Barreira Paula Oreiro-Martínez ana M.García-Deibe Jesús Sanmartín-Matalobos Matilde Fondo Departamento de Química Inorganica Facultade de QuímicaUniversidade de Santiago de CompostelaCampus Vida15782Santiago de CompostelaSpain Phantom-g CICECO-Aveiro Institute of MaterialsDepartment of PhysicsUniversity of Aveiro3810-193AveiroPortugal Institute of Materials(iMATUS) Universidade de Santiago de Compostela15782Santiago de CompostelaSpain

In this paper,the lanthanoid complexes of n_(5) and n_(6) macrocycle ligands,without pendant arms or additional heteroatoms,are *** review covers the period from 2015 to the current date,since in 2014 Schiff base macrocyclic ligands incorporating the pyridine moiety,and their complexes,were revised,and in 2015 the chemistry of pentaaza macrocycle ligands with rare earth metals was also *** and phthalocyanine ligands are not included in this review,which primarily focuses on complexes with Schiff bases and amines without pendant arms or any additional donor other than *** synthetic methods,structural characterization,based on single X-ray crystal data,and properties of the lanthanoid complexes,with special attention to magneto-structural correlations,are presented herein.

关键词： Lanthanoid n_(5),n_(6)macrocycle Coordination chemistry Chirality Biological activity Molecule magnet

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Phage lytic proteins: a natural approach to agro-food safety

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Food Science and Human Wellness 2024年

作者： Seila Agún Lucía Fernández ana Rodríguez Pilar García Instituto de Productos Lácteos de Asturias (IPLA-CSIC). DairySafe Group.Instituto de Investigación Sanitaria del Principado de Asturias (ISPA)

Sustainability is a leading trend in the context of food production. Additionally， consumers increasingly demand safer and less-processed products. Among the different technologies used to maintain the quality and extend the shelf-life of fresh and minimally-processed food， natural antimicrobial agents offer a promising strategy to replace conventional compounds. In this regard， phage lytic proteins or lysins， such as endolysins and virion-associated peptidoglycan hydrolases (VAPGHs)， have been proposed as a viable option for the avoidance and elimination of undesirable bacteria within the food production chain. Even when applied exogenously， these proteins can degrade the bacterial cell wall maintaining their lytic activity. This feature， alongside their modular structure， which can be exploited for bioengineering， provides significant biotechnological potential. However， despite the promising properties of lysins， the main obstacle for their commercialization is the limited legal information regulating their use. This challenge underscores the need to navigate complex regulatory pathways. The primary objective of this review is to address this crucial gap and summarize the many prospective applications of endolysins during the different stages of food production. By doing so， we aim to provide clarity and insight into the regulatory challenges that must be overcome for the successful utilization of lysins.

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Impacts of PI3K/protein kinase B pathway activation in reactive astrocytes: from detrimental effects to protective functions

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neural Regeneration Research 2025年第4期20卷 1031-1041页

作者： Ramón Pérez-núñez María Fernanda González ana María Avalos Lisette Leyton Cellular Communication Laboratory Programa de Biología Celular y MolecularCenter for Studies on ExerciseMetabolism and Cancer(CEMC)Instituto de Ciencias Biomédicas(ICBM)Facultad de MedicinaUniversidad de ChileSantiagoChile Advanced Center for Chronic Diseases(ACCDiS) Faculty of Chemical and Pharmaceutical Sciences&Faculty of MedicineUniversidad de ChileSantiagoChile Instituto de Ciencias Biomédicas Facultad de Ciencias de la SaludUniversidad Autónoma de ChileSantiagoChile

Astrocytes are the most abundant type of glial cell in the central nervous *** injury and inflammation,astrocytes become reactive and undergo morphological and functional *** on their phenotypic classification as A1 or A2,reactive astrocytes contribute to both neurotoxic and neuroprotective responses,***,this binary classification does not fully capture the diversity of astrocyte responses observed across different diseases and *** analysis has revealed that reactive astrocytes have a complex landscape of gene expression profiles,which emphasizes the heterogeneous nature of their *** actively participate in regulating central nervous system inflammation by interacting with microglia and other cell types,releasing cytokines,and influencing the immune *** phosphoinositide 3-kinase(PI3K)/protein kinase B(AKT)signaling pathway is a central player in astrocyte reactivity and impacts various aspects of astrocyte behavior,as evidenced by in silico,in vitro,and in vivo *** astrocytes,inflammatory cues trigger a cascade of molecular events,where nuclear factor-κB serves as a central mediator of the pro-inflammatory ***,we review the heterogeneity of reactive astrocytes and the molecular mechanisms underlying their *** highlight the involvement of various signaling pathways that regulate astrocyte reactivity,including the PI3K/AKT/mammalian target of rapamycin(mTOR),αvβ3 integrin/PI3K/AKT/connexin 43,and notch/PI3K/AKT *** targeting the inactivation of the PI3K/AKT cellular signaling pathway to control reactive astrocytes and prevent central nervous system damage,evidence suggests that activating this pathway could also yield beneficial *** dual function of the PI3K/AKT pathway underscores its complexity in astrocyte reactivity and brain function *** review emphasizes the importance of employing astrocyte-exclusive models to underst

关键词： inflammation integrins neuroprotective neurotoxic phosphatidylinositol 3-kinase reactive astrocytes signal transduction Thy-1(CD90)

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Hydroxytyrosol and Parkinson's disease:protective actions against alpha-synuclein toxicity

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neural Regeneration Research 2024年第7期19卷 1427-1428页

作者： Ruth Hornedo-Ortega ana M.Espinosa-Oliva Departamento de nutrición y Bromatología Toxicología y Medicina LegalFacultad de FarmaciaUniversidad de SevillaSevilleSpain Instituto de Biomedicina de Sevilla IBiS/Hospital Universitario Virgen del Rocío/CSIC/Universidad de SevillaSevillaSpain Departamento de Bioquímica y Biología Molecular Facultad de FarmaciaUniversidad de SevillaSevillaSpain

Parkinson’s disease:Parkinson’s disease(PD) is the second most prevalent neurodegenerative disease,after Alzheimer’s disease,affecting 1%of the general population over the age of *** to data from the World Health Organization(WHO),its prevalence has doubled in the past 25 *** 2019,global estimates indicated over 8.5 million individuals with PD and it is suggested that PD caused 329000 deaths,an increase of over 100% since 2000(WHO,2022).

关键词： protective Alzheimer prevalence

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Grasslands Response to Livestock Grazing Intensity in the Austral Pampas(Argentina):Testing the Intermediate Disturbance Hypothesis

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Phyton-International Journal of Experimental Botany 2024年第8期93卷 2037-2050页

作者： ana Elena de Villalobos María Andrea Long Grupo de Investigación en Ecosistemas de Pastizal(GIEP) CERZOSCONICETBahía Blanca8000Argentina Departamento de Biología Bioquímica y FarmaciaUniversidad Nacional del SurBahía Blanca8000Argentina

Livestock grazing has a significant impact on natural grasslands,with approximately one-third of the world’s land area dedicated to this *** 20%of global grasslands are highly degraded due to overgrazing,affecting their productivity and conservation *** practices are required to ensure sustainable livestock production that supports *** Intermediate Disturbance Hypothesis(IDH)suggests that environments with moderate levels of disturbance exhibit a higher species *** grazing can reduce the dominance of certain species,thereby enhancing plant ***,concerns arise regarding the increase of exotic and unpalatable species under moderate grazing levels,complicating grassland conservation *** impact of livestock grazing on the functional structure of grasslands depends on factors such as grazing intensity,livestock species,and environmental *** in grazing intensity may increase specific and functional diversity under moderate grazing,potentially masking the presence of invasive exotic *** the Austral Pampas(Pampean phytogeographic province,Buenos Aires,Argentina),grasslands face various pressures from domestic livestock grazing that endanger their integrity if not properly ***,our study aims to investigate potential differences in species richness and diversity,functional diversity,exotic plant abundance,and the number and distribution of plant functional groups across varying grazing *** IDH is utilized as a tool to regulate livestock pressure for grassland *** and functional diversity indices were used to assess the impact of grazing on grassland *** grazing increased species and functional diversity,while intensively grazed or ungrazed areas showed reduced *** presence influenced the balance between native and exotic plants,with ungrazed areas having higher native plant abundance and grazed areas exhibiti

关键词： natural grasslands grazing effects disturbance specific and functional diversity

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Sudden openings and gradual closures in canopy cover modulate acclimation,survival,and growth of a shade-tolerant rainforest tree species

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Journal of Forestry Research 2024年第5期35卷 78-90页

作者： ana Paula Moretti Flavia Yesica Olguin Juan Marcelo Gauna Corina Graciano InFIVE(COnICET-Universidad nacional de La Plata) Diagonal 113 N°4951900 La PlataProvincia de Buenos AiresArgentina COnICET Godoy Cruz 2290C1425FQB Buenos AiresArgentina Facultad de Ciencias Agrariasy Forestales Universidad Nacional de La PlataCalle 60y 1181900 La PlataProvincia de Buenos AiresArgentina Facultad de Ciencias Forestales Universidad Nacional de MisionesBertoni 124 km 33380 EldoradoProvincia de MisionesArgentina

Forest disturbances at gap levels are one of the most important events for the regeneration and establishment of intermediate tree *** canopy openings expose plants to high light intensity and high evaporative demands that stress shade-acclimated ***,the slow closure of gaps reduces light availability to plants established when the incident irradiation was *** work evaluated the morphological and physiological acclimation of Cabralea canjerana(Vell)*** to sudden and to gradual changes in canopy cover.A pot experiment was carried out with plants exposed to a sudden opening.A few days after the light shock,plants rapidly increased photosynthetic rates and decreased leaf water *** two months,plants activated physiological responses at leaf and whole plant levels to high light and water stresses,e.g.,increased stoma-tal conductance,stomatal index and reduction of leaf:fine roots ratio and *** seven months,hydraulic conductivity of petioles and the whole leaf increased,and growth was much higher than plants that remained under the *** a field experiment in gaps in the rainforest,plants acclimated to all canopy *** years after planting,growth was maximum in open environments within the gaps,even if the canopy closed during the first 20 months after *** conclusion,if this species is planted to enrich the rainforest,positions within gaps with lower canopy cover should be chosen and gap closure will not affect *** manage *** natural regeneration,the opening of gaps and removal of understory will increase survival and growth without the risk that the stress caused by these sudden openings could lead to the death of ***-bining pot and field experiments helps to understand the autecology of trees with particular ecological interest,and to build sound restoration practices.

关键词： Cabralea canjerana Atlantic forest Abiotic stress Regeneration Seedling

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Sol-gel derived B_(2)O_(3)-CaO borate bioactive glasses with hemostatic,antibacterial and pro-angiogenic activities

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Regenerative Biomaterials 2024年第1期3卷 108-118页

作者： Kai Zheng Faina Bider Mahshid Monavari Zhiyan Xu Christina Janko Christoph Alexiou ana M.Beltran Aldo R.Boccaccini Jiangsu Province Engineering Research Center of Stomatological Translational Medicine College of StomatologyNanjing Medical UniversityNanjing 210029China Jiangsu Key Laboratory of Oral Diseases Nanjing Medical UniversityNanjing 210029China Institute of Biomaterials University of Erlangen-Nuremberg91058 ErlangenGermany Department of Oto-Rhino-Laryngology Head and Neck SurgerySection of Experimental Oncology and Nanomedicine(SEON)Else Kroener-Fresenius-Stiftung ProfessorshipUniversitaetsklinikum Erlangen91058 ErlangenGermany Departamento de Ingenier�ıa y Ciencia de los Materiales y del Transporte Escuela Politecnica

Sol-gel borate bioactive glasses(BGs)are promising ion-releasing biomaterials for wound healing ***,we report the synthesis of a series of binary B_(2)O_(3)-CaO borate BGs(CaO ranging from 50 to 90mol%)using a sol-gel-based *** influence of CaO content in B_(2)O_(3)-CaO borate BG on morphology,structure and ion release behavior was investigated in *** dissolution(ion release)and crystallization could be observed in borate BGs when CaO content increased,while the morphology was not significantly altered by increasing CaO *** results evidenced that the ion release behavior of borate BGs could be tailored by tuning the B_(2)O_(3)/CaO molar *** also evaluated the in vitro cytotoxicity,hemostatic,antibacterial and angiogenic activities of borate *** was validated for all borate ***,borate BGs exhibited composition-dependent hemostatic,antibacterial and angiogenic ***,higher contents of Ca in borate BGs facilitated hemostatic activity,while higher contents of B_(2)O_(3) were beneficial for pro-angiogenic *** synthesized sol-gel-derived borate BGs are promising materials for developing advanced wound healing dressings,given their fast ion release behavior and favorable hemostatic,antibacterial and angiogenic activities.

关键词： borate glasses sol-gel processing glass composition wound healing

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Design multifunctional Mg–Zr coatings regulating Mg alloy bioabsorption

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Journal of Magnesium and Alloys 2024年第4期12卷 1461-1478页

作者： Zohra Benzarti Sandesh Itani JoséDavid Castro Sandra Carvalho ana Sofia Ramos University of Coimbra CEMMPREARISEDepartment of Mechanical EngineeringRua Luís Reis Santos3030-788CoimbraPortugal Laboratory of Multifunctional Materials and Applications(LaMMA) Department of PhysicsFaculty of Sciences of SfaxUniversity of SfaxSoukra Road km 3.5B.P.1171Sfax3000Tunisia

Magnesium(Mg)alloys are widely used for temporary bone implants due to their favorable biodegradability,cytocompatibility,hemocompatibility,and close mechanical properties to ***,rapid degradation and inadequate strength limit their *** overcome this,the direct current magnetron sputtering technique is employed for surface coating in Mg-based alloys using various zirconium(Zr)*** approach presents a promising strategy for simultaneously improving corrosion resistance,maintaining biocompatibility,and enhancing strength without compromising *** leveraging Mg’s inherent biodegradability,it has the potential to minimize the need for secondary surgeries,thereby reducing costs and *** paper is a systematic study aimed at understanding the corrosion mechanisms of Mg–Zr coatings,denoted Mg-xZr(x=0–5 at.%).Zr-doped coatings exhibited columnar growth leading to denser and refined structures with increasing Zr *** analysis confirmed the presence of the Mg(00.2)basal plane,shifting towards higher angles(1.15°)with 5 at.%Zr doping due to lattice parameter changes(i.e.,decrease and increase of“c”and“a”lattice parameters,respectively).Mg–Zr coatings exhibited“liquidphilic”behavior,while Young’s modulus retained a steady value around 80 GPa across all ***,the hardness has significantly improved across all samples’coating,reaching the highest value of(2.2±0.3)GPa for 5 at.%*** testing in simulated body fluid(SBF)at 37℃ revealed a significant enhancement in corrosion resistance for Mg–Zr coatings containing 1.0–3.4 at.%*** with the 5 at.%Zr coating which exhibited a corrosion rate of 32 mm/year,these coatings displayed lower corrosion rates,ranging from 1 to 12 mm/*** synergistic enhancement in mechanical properties and corrosion resistance,achieved with 2.0–3.4 at.%Zr,suggests potential ability for reducing stress shielding and controlled degradation performance,and consequentl

关键词： Mg-Zr coatings Magnetron sputtering nanoindentation Corrosion resistance Bone implants

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