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Computational Analysis of Physicochemical, Pharmacokinetic and Toxicological Properties of Deoxyhypusine synthase Inhibitors with Antimalarial Activity

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Computational Molecular Bioscience 2014年第4期4卷 47-57页

作者： Nayara s.R.silva luana k.s.goncalves Jonatas L.Duarte Juliane s.silva César F.santos Francinaldo s.Braga Raí C.silva Josivan s.Costa Lorane I.s.Hage-Melim Cleydson B.Rdos santos Laboratory of Modeling and Computational Chemistry Federal University of AmapáCampus Universitário Marco ZeroMacapáBrazil Postgraduate Program in Pharmaceutical sciences Federal University of AmapáMacapáBrazil

Malaria is a parasitic disease which has as etiological agents protozoa of the genus Plasmodium prevalent in tropical countries. The appearance of Plasmodium strains resistant to artemisinin has become necessary the development of new drugs using computational tools to combat this epidemic. Diverse transporter proteins can act as antimalarials targets, thereby being the enzyme deoxyhypusine synthase a promising antimalarial target. The present study aimed to investigate 15 most active inhibitors of deoxyhypusine synthase target, deposited in databases Binding DB, in order to trace a pattern of physicochemical, pharmacokinetic and toxicological properties of the inhibitors for this enzyme and propose new inhibitors of deoxyhypusine synthase target. The physicochemical properties were obtained according to the Lipinski parameters to evaluate oral absorption. Based on the certain properties were proposed three new inhibitors (A, B and C). The ADME/Tox properties were calculated for new inhibitors compared with results of the selected compounds. The fifteen inhibitors for oral administration showed satisfactory results, because they have adapted to the Lipinski parameters. In relation to the penetration of the blood-brain barrier the inhibitors analyzed showed penetration values less than 1, and ranged from 0.0411815 to 0.481764, being that the compound 1 showed value of CBrain/CBlood = 0.135467. Compound B showed a higher strength in plasma protein binding in relation to the compound 1, having a variation be-tween them of ±1.489344. Therefore, the compound B would present a longer halflife compared with compound 1. The proposed compounds showed positive and satisfactory results, being able to reach less adverse effects related to the central nervous system depending of administered dose.

关键词： Antimalarial Activity Deoxyhypusine synthase Inhibitors Physicochemical Property Pharmacokinetic and Toxicological Properties

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Effects of the level and source of dietary physically effective fiber on feed intake, nutrient utilization, heat energy, ruminal fermentation,and milk production by Alpine goats

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Animal Nutrition 2024年第2期17卷 312-324页

作者： Raquel V.Lourencon Amlan k.Patra luana P.s.Ribeiro Ryszard Puchala Wei Wang Terry A.Gipson Arthur L.Goetsch American Institute for Goat Research Langston University

Thirty-two primiparous and 31 multiparous Alpine goats were used to determine influences of diets varying in level and source of forage on performance in early to mid-lactation for 16 wk. Diets consisted of 40%, 50%, 60%, and 70% forage(designated as 40F, 50F, 60F, and 70F, respectively) with 60F and 70F containing coarsely ground grass hay(primarily orchardgrass) and 40F and 50F containing cottonseed hulls, alfalfa pellets, and coarsely ground wheat hay. Diets contained 15.9% to 16.3% crude protein and37.8%, 42.1%, 53.5%, and 55.4% neutral detergent fiber(NDF) with 10.0%, 15.8%, 50.1%, and 55.5% particle retention on a 19-mm sieve, and 26.1%, 29.6%, 38.3%, and 40.0% physically effective NDF(pe NDF) for 40F,50F, 60F, and 70F, respectively. Dry matter intake(2.71, 2.75, 1.96, and 1.95 kg/d) and milk yield(2.82,2.71, 2.23, and 2.10 kg/d for 40F, 50F, 60F, and 70F, respectively) were lower(P s highest in forage. Digestion of organic matter was similar among diets(P > 0.05), but digestibility of NDF was greater(P spectively). Diet affected(P k fat(3.16%, 3.37%, 2.93%, and 2.97%) and protein concentrations(2.62%, 2.69%, 2.58%, and 2.52% for 40F, 50F, 60F, and 70F, respectively). Milk energy yield was greater(P s lowest in forage(7.51, 7.45, 5.68, and 5.34 MJ/d), although yield relative to dry matter intake was not affected(P > 0.05) by diet and was lower(P s vs. multiparous goats(2.71 and 3.09 MJ/kg). Ruminal p H and acetate proportion were greater for 60F and 70F than for the other diets and the proportion of butyrate was lower for the two diets highest in fiber. The mean lengths of time spent ruminating, eating, standing, and lying were not affected(P > 0.05) by diet or parity, but many interactions involving diet, period, hour, and parity were significant(P sion, lactational performance o

关键词： Physically effective fiber Alpine goat Lactation Ruminal fermentation Feeding behavior

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Analysis of a passive ankle exoskeleton for reduction of metabolic costs during walking

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Defence Technology（防务技术） 2024年第7期37卷 62-68页

作者： Luís Quinto Pedro Pinheiro sergio B.goncalves Ivo Roupa Paula simoes Miguel Tavares da silva CINAMIL Academia MilitarInstituto Universitario MilitarLisbonPortugal IDMEC Instituto Superior TecnicoUniversidade de LisboaLisbonPortugal

Modern conflicts demand substantial physical and psychological exertion,often resulting in fatigue and diminished combat or operational *** exoskeletons have been developed recently to address these challenges,presenting various limitations that affect their operational or everyday *** article evaluates the performance of a dual-purpose passive ankle exoskeleton developed for the reduction of metabolic costs during walking,seeking to identify a force element that could be applied to the target *** on the 6-min walk test,twenty-nine subjects participated in the study using three different force *** results indicate that it is possible to reduce metabolic expenditure while using the developed ***,the comfort and range of motion results verify the exoskeleton's suitability for use in uneven terrain and during extended ***,the choice of the force element should be tailored to each user,and the control system should be adjustable to optimise the exoskeleton's performance.

关键词： Ankle passive exoskeleton Metabolic cost reduction Dual-use exoskeleton Gait Biomechanics

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Modulation of the Nogo signaling pathway to overcome amyloid-β-mediated neurite inhibition in human pluripotent stem cell-derived neurites

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Neural Regeneration Research 2025年第9期20卷 2645-2654页

作者： kirsty goncalves stefan Przyborski Department of Biosciences Durham UniversityDurhamUK Reprocell Europe Ltd. GlasgowUK

Neuronal cell death and the loss of connectivity are two of the primary pathological mechanisms underlying Alzheimer's *** accumulation of amyloid-βpeptides,a key hallmark of Alzheimer's disease,is believed to induce neuritic abnormalities,including reduced growth,extension,and abnormal growth cone morphology,all of which contribute to decreased ***,the precise cellular and molecular mechanisms governing this response remain *** this study,we used an innovative approach to demonstrate the effect of amyloid-βon neurite dynamics in both two-dimensional and three-dimensional cultu re systems,in order to provide more physiologically relevant culture *** utilized various methodologies,including the addition of exogenous amyloid-βpeptides to the culture medium,growth substrate coating,and the utilization of human-induced pluripotent stem cell technology,to investigate the effect of endogenous amyloid-βsecretion on neurite outgrowth,thus paving the way for potential future applications in personalized ***,we also explore the involvement of the Nogo signaling cascade in amyloid-β-induced neurite *** demonstrate that inhibition of downstream ROCk and RhoA components of the Nogo signaling pathway,achieved through modulation with Y-27632(a ROCk inhibitor)and Ibuprofen(a Rho A inhibitor),respectively,can restore and even enhance neuronal connectivity in the presence of amyloid-β.In summary,this study not only presents a novel culture approach that offers insights into the biological process of neurite growth and inhibition,but also proposes a specific mechanism for reduced neural connectivity in the presence of amyloid-βpeptides,along with potential intervention points to restore neurite ***,we aim to establish a culture system that has the potential to serve as an assay for measuring preclinical,predictive outcomes of drugs and their ability to promote neurite outgrowth,both generally and in a patie

关键词： Alzheimer's disease induced pluripotent stem cell neurite outgrowth neuron Nogo Rho A ROCk stem cell three-dimensional culture

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Exploring the genetic control of sweat gland characteristics in beef cattle for enhanced heat tolerance

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Journal of Animal science and Biotechnology 2024年第5期15卷 1820-1831页

作者： Aakilah s.Hernandez Gabriel A.Zayas Eduardo E.Rodriguez kaitlyn M.sarlo Davila Fahad Rafiq Andrea N.Nunez Cristiane goncalves Titto Raluca G.Mateescu Department of Animal science North Carolina State UniversityRaleighNCUSA Department of Animal sciences University of FloridaGainesvilleFLUSA. Ruminant Diseases and Immunology Research Unit National Animal Disease CentersUnited States Department of Agriculture1920 Dayton AvenueAmesIA 50010USA. Department of Animal science Iowa StateAmesIAUSA school of Animal sciences and Food Engineering University of Sao PauloAv Duque de Caxias Norte 225PirassunungaSao Paulo 13635‑900Brazil

Background Thermal stress in subtropical regions is a major limiting factor in beef cattle production systems with around$369 million being lost annually due to reduced *** stress causes numerous physiological and behavioral disturbances including reduced feed intake and decreased production *** utilize various physiological mechanisms such as sweating to regulate internal *** in these traits can help identify genetic variants that control sweat gland properties and subsequently allow for genetic selection of cattle with greater *** This study used 2,401 Brangus cattle from two commercial ranches in *** phenotypes that contribute to an animal's ability to manage heat stress were calculated from skin biopsies and included sweat gland area,sweat gland depth,and sweat gland *** animals were genotyped with the Bovine GGP F250k,and BLUPF90 software was used to estimate genetic parameters and for Genome Wide Association *** sweat gland phenotypes heritability ranged from 0.17 to 0.42 indicating a moderate amount of the phenotypic variation is due to genetics,allowing producers the ability to select for favorable sweat gland properties.A weighted single-step GWAs using sliding 10 kb windows identified multiple quantitative trait loci(QTLs)explaining a significant amount of genetic *** located on BTA7 and BTA12 explained over 1.0%of genetic variance and overlap the ADGRV1 and CCDC168 genes,*** variants identified in this study are implicated in processes related to immune function and cellular proliferation which could be relevant to heat *** of Origin Alleles(BOA)were predicted using local ancestry in admixed populations(LAMP-LD),allowing for identification of markers'origin from either Brahman or Angus ancestry.A BOA GWAs was performed to identify regions inherited from particular ancestral breeds that might have a significant impact on sweat gland pheno

关键词： GWAs Heritability skin Thermotolerance

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Evaluation of Laboratory Request Forms Completion in a Tertiary Medical Laboratory of the Democratic Republic of Congo

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Journal of Biosciences and Medicines 2024年第6期12卷 94-100页

作者： Mamy Ngole Dahlia Pambu Nathan luana Dophie Tshibuela Ritha Nyembu kibambe Bizette Bizeti Nsangu Department of Medical Biology University Hospital of Kinshasa Kinshasa DR Congo Center for Human Genetics University of Kinshasa Kinshasa DR Congo Faculty of Medicine University of Kinshasa Kinshasa DR Congo Department of Medical Biology Ngaliema Clinic Kinshasa DR Congo Global Health systems solutions Kinshasa DR Congo

Background: The inadequacy in the completeness of the Laboratory Request Form (LRF) has been reported as one of the major sources of errors during the pre-analytical step of laboratory analysis. To prevent the occurrence of such errors, this study aimed at assessing the level of completeness of LRFs. Methods: A retrospective analysis of laboratory request forms was conducted at the Clinical Biology Laboratory of the kinshasa University Clinic, DR Congo, between November 2021 to May 2022. The LRFs were evaluated according to the completeness of all sections including administrative data of the patient, data of physician who ordered the test, relevant patient’s clinical data and data of the biological sample. Results: From a total of 2842 LRFs evaluated, none was fully completed with all required information. Particularly, patient’s clinical data including the medical history, provisional diagnosis and current treatment, were the most absent in 99% LRFs. However, two sections related to patient’s ID and prescribed test were informed in 100% LRFs. Conclusion: The results of this preanalytical audit can serve as an improvement opportunity focused on strengthening awareness about complete filling of LRF.

关键词： Audit Laboratory Requisition Form Clinical Biology Laboratory Completeness

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What is the effect of Tribulus terrestris on testicular morphology and sperm production?An experimental study in the rat model

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Asian Journal of Andrology 2024年第1期26卷 67-70页

作者： Marcello Henrique Araujo Da silva Gabriela Faria Buys-goncalves Joao Henrique Duque Reis Estrada Francisco Jose Barcellos sampaio Diogo Benchimol de souza Urogenital Research Unit Rio de Janeiro State UniversityRio de Janeiro 20551-030RJBrazil

The objective of this study was to investigate whether treatment with Tribulus terrestris(Tt)has any impact on the testicular morphology and function in a rodent *** male rats were divided into a control group and a group receiving 100 mg kg^(-1) body weight of Tt *** 4o days of experiment,the animals were submitted to euthanasia;epididymal tail spermatozoa were collected;and spermatozoa concentration,motility,and viability were *** addition,testicles were collected and processed for histomorphometrical *** were compared using the student's t-test and considered significant when Pshowed no difference between the ***,testicular weight and volume,seminiferous tubule diameter,tunica propria surface density,seminiferous epithelium surface density,and intertubular compartment surface density were statistically similar between the ***,seminiferous epithelium height and tubular lumen surface density were augmented in animals treated with *** with Tt does not cause a major impact on testicular morphology,promoting only subtle *** difference on spermatozoa parameters was observed.

关键词： morphometry testicle Tribulus terrestris

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Antecedent Precipitation Index to Estimate soil Moisture and Correlate as a Triggering Process in the Occurrence of Landslides

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International Journal of Geosciences 2024年第1期15卷 70-86页

作者： Marcio Augusto Ernesto De Moraes Walter Manoel Mendes Filho Rodolfo Moreda Mendes Cassiano Antonio Bortolozo Daniel Metodiev Marcio Roberto Magalhães De Andrade Harideva Marturano Egas Tatiana sussel Gonçalves Mendes luana Albertani Pampuch CEMADEN - National Centre for Monitoring and Early Warnings of Natural Disasters General Coordination of Research and Development S&#227o José dos Campos Brazil Faculty of science and Technology Goias Federal University Aparecida de Goi&#226nia Brazil Institute of science and Technology S&#227o Paulo State University (Unesp) S&#227o José dos Campos Brazil

Landslides are highly dangerous phenomena that occur in different parts of the world and pose significant threats to human populations. Intense rainfall events are the main triggering process for landslides in urbanized slope regions, especially those considered high-risk areas. Various other factors contribute to the process;thus, it is essential to analyze the causes of such incidents in all possible ways. soil moisture plays a critical role in the Earth’s surface-atmosphere interaction systems;hence, measurements and their estimations are crucial for understanding all processes involved in the water balance, especially those related to landslides. soil moisture can be estimated from in-situ measurements using different sensors and techniques, satellite remote sensing, hydrological modeling, and indicators to index moisture conditions. Antecedent soil moisture can significantly impact runoff for the same rainfall event in a watershed. The Antecedent Precipitation Index (API) or “retained rainfall,” along with the antecedent moisture condition from the Natural Resources Conservation service, is generally applied to estimate runoff in watersheds where data is limited or unavailable. This work aims to explore API in estimating soil moisture and establish thresholds based on landslide occurrences. The estimated soil moisture will be compared and calibrated using measurements obtained through multisensor capacitance probes installed in a high-risk area located in the mountainous region of Campos do Jordão municipality, são Paulo, Brazil. The API used in the calculation has been modified, where the recession coefficient depends on air temperature variability as well as the climatological mean temperature, which can be considered as losses in the water balance due to evapotranspiration. Once the API is calibrated, it will be used to extrapolate to the entire watershed and consequently estimate soil moisture. By utilizing recorded mass movements and comparing them with AP

关键词： Landslides Antecedent Precipitation Index soil Moisture Threshold Water Balance

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ARHCs (Automatic Rainfall Half-Life Cluster system): A Landslides Early Warning system (LEWs) Using Cluster Analysis and Automatic Threshold Definition

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International Journal of Geosciences 2024年第1期15卷 54-69页

作者： Cassiano Antonio Bortolozo luana Albertani Pampuch Marcio Roberto Magalhães De Andrade Daniel Metodiev Adenilson Roberto Carvalho Tatiana sussel Gonçalves Mendes Tristan Pryer Harideva Marturano Egas Rodolfo Moreda Mendes Isadora Araújo sousa Jenny Power Cemaden - National Center for Monitoring and Early Warning of Natural Disasters General Coordination of Research and Development S&#227o José dos Campos Brazil Environmental Engineering Department Institute of Science and Technology S&#227o Paulo State University S&#227o José dos Campos Brazil Department of Mathematical sciences University of Bath Bath UK Institute for Mathematical Innovation University of Bath Bath UK

A significant portion of Landslide Early Warning systems (LEWs) relies on the definition of operational thresholds and the monitoring of cumulative rainfall for alert issuance. These thresholds can be obtained in various ways, but most often they are based on previous landslide data. This approach introduces several limitations. For instance, there is a requirement for the location to have been previously monitored in some way to have this type of information recorded. Another significant limitation is the need for information regarding the location and timing of incidents. Despite the current ease of obtaining location information (GPs, drone images, etc.), the timing of the event remains challenging to ascertain for a considerable portion of landslide data. Concerning rainfall monitoring, there are multiple ways to consider it, for instance, examining accumulations over various intervals (1 h, 6 h, 24 h, 72 h), as well as in the calculation of effective rainfall, which represents the precipitation that actually infiltrates the soil. However, in the vast majority of cases, both the thresholds and the rain monitoring approach are defined manually and subjectively, relying on the operators’ experience. This makes the process labor-intensive and time-consuming, hindering the establishment of a truly standardized and rapidly scalable methodology on a large scale. In this work, we propose a Landslides Early Warning system (LEWs) based on the concept of rainfall half-life and the determination of thresholds using Cluster Analysis and data inversion. The system is designed to be applied in extensive monitoring networks, such as the one utilized by Cemaden, Brazil’s National Center for Monitoring and Early Warning of Natural Disasters.

关键词： Landslides Early Warning system (LEWs) Cluster Analysis Landslides Brazil

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Epigenetic modulators for brain cancer stem cells: Implications for anticancer treatment

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World Journal of stem Cells 2021年第7期13卷 670-684页

作者： luana Abballe Evelina Miele Department of Pediatric Hematology/Oncology and Cellular and Gene Therapy Bambino GesùChildren's HospitalIRCCSRome 00165Italy

Primary malignant brain tumors are a major cause of morbidity and mortality in both adults and children,with a dismal prognosis despite multimodal therapeutic *** the last years,a specific subpopulation of cells within the tumor bulk,named cancer stem cells(CsCs)or tumor-initiating cells,have been identified in brain tumors as responsible for cancer growth and disease *** features of tumor cells strongly affect treatment response,leading to the escape from conventional therapeutic approaches and subsequently causing tumor *** research efforts have focused at identifying new therapeutic strategies capable of specifically targeting CsCs in cancers by taking into consideration their complex *** epigenetic machinery plays a key role in the genesis and progression of brain tumors as well as inducing CsC reprogramming and preserving CsC ***,reverting the cancer epigenome can be considered a promising therapeutic *** main epigenetic mechanisms have been described:DNA methylation,histone modifications,and non-coding RNA,particularly *** of these mechanisms has been proven to be targetable by chemical compounds,known as epigeneticbased drugs or epidrugs,that specifically target epigenetic *** review here recent advances in the study of epigenetic modulators promoting and sustaining brain tumor stem-like *** focus on their potential role in cancer therapy.

关键词： Cancer stem cells Epigenetics Brain tumors Epigenetic drugs Histone deacetylase inhibitors DNA methyltransferase inhibitors

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