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Herbal remedies with medicinal properties have been utilized in Asian countries for centuries. Recently, Pancratium triflorum Roxb., also known as the forest spider lily, has captured the attention of researchers due to its potential therapeutic benefits. This plant produces white flowers and contains several important phytochemicals, including Lycorine, citrate, Gallic acid, Ellagic acid, Quercetin, and Kaempferol. Molecular docking, a computer simulation technique, has been used to identify potential drug candidates that can bind effectively to the active site of a protein. This study explored the anti-inflammatory and anticancer properties of Pancratium triflorum Roxb.'s Phyto-constituents using molecular docking with Auto dock 4.2.6. The study focused on the Vioxx-bound human Cox2 receptor and the Tyrosine kinase receptor bound to Gliteritinib. Standard ligands were used for redocking, and the Swiss ADME software was employed for bioavailability prediction to validate the findings. The results showed that Lycorine and Crinine have excellent anti-inflammatory properties, while Kaempferol and Quercetin have promising anticancer properties. Further research is necessary, but these findings suggest that Pancratium triflorum Roxb. could be a valuable addition to the medical world. However, further research is required to validate these findings, and in vivo studies are needed to confirm the efficacy and safety of these phytochemicals as potential drug candidates.
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Objective To summarize the clinical and genetic features of children with autosomal dominant and recessive hyperimmunoglobulin E syndrome (HIES). Methods HIES patients were studied at the dermatology department of Beijing Children's Hospital, Capital Medical University were collected, from January 2013 to December 2021, diagnosed by both clinical manifestation and genetic assessment. The general data were summarized, the clinical and genetic characteristics were analyzed, and the similarities and differences between autosomal dominant HIES (AD-HIES) and autosomal recessive HIES (AR-HIES) were compared. Results A total of 7 children with HIES were studied, including 3 cases of AD-HIES and 4 cases of AR-HIES. There were 4 males and 3 females. All children had recurrent eczema-like lesions, recurrent skin and pulmonary infections, and elevated serum IgE and eosinophil levels. The differences between AD-HIES and AR-HIES mainly include: the main cutaneous infection in 3 children with AD-HIES were bacterial infections (such as abscess and impetigo), while in 4 children with AR-HIES, cutaneous infections were mostly severe viral infection (such as verruca vulgaris and molluscum contagiosum). There were pulmonary parenchymal changes (such as pneumatoceles, cyst and atelectasis) in 3 children with AD-HIES, whilst there were no similar changes in the lungs of 4 children with AR-HIES; 75% of children with AR-HIES had allergic diseases (including asthma and food allergy), while there were no reports of allergic diseases in children with AD-HIES. As for manifestations outside of immune system, AD-HIES was more likely to appear facial dysmorphism(such a broad nasal bridge and a high-arched palate). Furthermore, the incidence of tumor in AR-HIES was higher than that in AD-HIES. AD-HIES was mainly caused by the mutation of STAT3 gene, and AR-HIES was mainly caused by the mutation of DOCK8 gene. We reported two new mutation sites of DOCK8 gene c.1798-2A > T and c.874G > A in two cases, respectively. Conclusions For children with clinical manifestations of recurrent eczema-like lesions, repeated infection and significant increase in serum IgE levels, HIES should be suspected, and genetic screening should be carried out to make definite diagnosis and classification, to achieve better long-term management and improve prognosis.
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Abstract Objectives Osteoblasts are derived from Bone Marrow-derived Mesenchymal Stem Cells (BM-MSCs), which play an indispensable role in bone formation. In this study, the authors aim to investigate the role of IRF4 in the osteogenic differentiation of BM-MSCs and its potential molecular mechanism. Methods The authors used lentivirus infection to overexpress IRF4 in BM-MSCs. The expression of IRF4 and osteogenesis-related genes were detected by qRT-PCR and western blot analysis. The osteogenic differentiation of BM-MSCs was evaluated by Alkaline Phosphatase (ALP) activity, Alizarin red staining, and Alkaline Phosphatase (ALP) staining. Chromatin Immunoprecipitation (ChIP), Dual-Luciferase reporter assay and RNA Immunoprecipitation Assay were applied to confirm the regulatory mechanism between IRF4, miR-636 and DOCK9. Results The authors found IRF4 was down-regulated during the osteogenic differentiation of BM-MSCs, and IRF4 overexpression could decrease the osteogenic differentiation of BM-MSCs by specifically promoting the reduction of Alkaline Phosphatase (ALP) activity and down-regulating osteogenic indicators, including OCN, OPN, Runx2 and CollA1. Mechanistically, IRF4 activated microRNA-636 (miR-636) expression via binding to its promoter region, and Dedicator of Cytokinesis 9 (DOCK9) was identified as the target of miR-636 in BM-MSCs. Moreover, the damage in the capacity of osteogenic differentiation of BM-MSCs induced by IRF4 overexpression could be rescued by miR-636 inhibition. Conclusions In summary, this paper proposed that IRF4/miR-636/DOCK9 may be considered as targets for the treatment of osteoporosis (OP).
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Hyper IgE syndromes(HIES)comprise a group of rare primary immunodeficiency disorders characterized by a triad of atopic dermatitis, recurrent skin and lung infections along with elevated IgE levels.According to clinical and molecular characteristics, HIES can be classified into 2 types: autosomal dominant HIES(AD-HIES)and autosomal recessive HIES(AR-HIES). At present, STAT3, DOCK8, IL6ST and ZNF341 are included in OMIM database.AD-HIES, caused by STAT3 mutations, can present multiple systemic clinical symptoms and even lead to the development of pulmonary structural abnormalities including pneumatoceles and bronchiectasis.AR-HIES, caused by DOCK8, IL6ST or ZNF341 mutations, often present with severe fungal, bacterial or viral infections.Neurologic manifestations are frequent complications, such as vasculitis, hemangioma and cerebral infarction.The mortality rate is high.There is no specific index for the clinical diagnosis of HIES, and the final diagnosis still needs to be combined with genetic diagnosis.This article reviews the above genes and their possible pathogenesis.
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Hyper IgE syndromes (HIES) comprise a group of rare primary immunodeficiency disorders characterized by a triad of atopic dermatitis,recurrent skin and lung infections along with elevated IgE levels.According to clinical and molecular characteristics,HIES can be classified into 2 types:autosomal dominant HIES (AD-HIES) and autosomal recessive HIES (AR-HIES).At present,STAT3,DOCK8,IL6ST and ZNF341 are included in OMIM database.AD-HIES,caused by STAT3 mutations,can present multiple systemic clinical symptoms and even lead to the development of pulmonary structural abnormalities including pneumatoceles and bronchiectasis.AR-HIES,caused by DOCK8,IL6ST or ZNF341 mutations,often present with severe fungal,bacterial or viral infections.Neurologic manifestations are frequent complications,such as vasculitis,hemangioma and cerebral infarction.The mortality rate is high.There is no specific index for the clinical diagnosis of HIES,and the final diagnosis still needs to be combined with genetic diagnosis.This article reviews the above genes and their possible pathogenesis.
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Using CBBR as the parent core constructed in our lab, we designed and synthesized 15 novel compounds with diverse structures for evaluation of anti-bacterial activities. Structure activity relationship studies revealed that ① ring C was essential for the activity; ② 7,8- or 8,13-disubstituted CBBR derivatives showed ideal activities, weaker or similar to those corresponding to 7-, 8-, or 13-monosubstituted CBBR derivatives. Among those, compound 9a showed the most potential activity against MRSA/VISA isolates with MIC values of 1-2 μg·mL-1, much better than Lev. 9a also displayed higher stability in the plasma and liver microsomes. Molecular docking indicated that 9a might target bacterial DNA Topo IV ParE subunit, indicating a mode of action distinct from current antibacterial drugs on market. The results provided key scientific evidence for developing such compounds into a new family of anti-MRSA drugs.
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BACKGROUND Malaria persists as a major public health problem. Atovaquone is a drug that inhibits the respiratory chain of Plasmodium falciparum, but with serious limitations like known resistance, low bioavailability and high plasma protein binding. OBJECTIVES The aim of this work was to perform molecular modelling studies of 2-hydroxy-1,4-naphthoquinones analogues of atovaquone on the Qo site of P. falciparum cytochrome bc1 complex (Pfbc1) to suggest structural modifications that could improve their antimalarial activity. METHODS We have built the homology model of the cytochrome b (CYB) and Rieske iron-sulfur protein (ISP) subunits from Pfbc1 and performed the molecular docking of 41 2-hydroxy-1,4-naphthoquinones with known in vitro antimalarial activity and predicted to act on this target. FINDINGS Results suggest that large hydrophobic R2 substituents may be important for filling the deep hydrophobic Qo site pocket. Moreover, our analysis indicates that the H-donor 2-hydroxyl group may not be crucial for efficient binding and inhibition of Pfbc1 by these atovaquone analogues. The C1 carbonyl group (H-acceptor) is more frequently involved in the important hydrogen bonding interaction with His152 of the Rieske ISP subunit. MAIN CONCLUSIONS Additional interactions involving residues such as Ile258 and residues required for efficient catalysis (e.g., Glu261) could be explored in drug design to avoid development of drug resistance by the parasite.
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Plasmodium falciparum/effets des médicaments et des substances chimiques , Complexe III de la chaîne respiratoire/composition chimique , Antipaludiques/pharmacologie , Antipaludiques/composition chimique , Naphtoquinones/composition chimique , Analyse de séquence de protéineRÉSUMÉ
Purpose To investigate the correlation of Dock180 and miR-31 expression in breast cancer cells,and to observe the effect of miR-31 on the invasion of breast cancer cells by Dock180.Methods MiR-31 was transfected into breast cancer cells by liposome transfection technique.The actual binding site of miR-31 to the 3'-untranslated region of Dock180 was confirmed through luciferase assay.Western blot was performed to detect the expression of Dockl80 and other related proteins.Real-time PCR was used to measure the expression of Dock180.Matrigel invasion were performed to detect the invasion of breast cancer cell lines with miR-31 increased.Resuits The protein levels of Dock180 in breast cancer cell lines negatively correlated with miR-31 expression,and Dock180 was directly targeted by miR-31.Dock180 downregulation and miR-31 overexpression reduced breast cancer cells invasion.Conclusion Dock180 modulated by miR-31 plays an important function in breast cancer cell lines invasion.
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Objective To investigate the effects of dedicator of cytokinesis 1 (Dock180) knockout on proliferation and apoptosis in rat derived H9C2 cardiomyocytes and their mechanisms.Methods A single guide RNA (sgRNA) targeting rat Dock180 gene was designed and constructed using CRISPR/Cas9 system.A plasmid contained above sgRNA was packaged into lentivirus and selected to knockout Dock180 in the cardiomyocytes.A single clone of cardiomyocyte with Dock180 knockout was established.Cardiomyocytes were divided into negative lentivirus group (Cas9, A group), Dock180 knockout group (B group), Cas9 lentivirus hypoxia group (C group), Dock180 knockout hypoxia group (D group).The expression of Dock180 mRNA was examined by RT-PCR, and relevant proteins were detected by Western blot.The cell proliferation rate of the cardiomyocytes was determined by MTT, and the apoptotic rate was measured by flow cytometry.Results Dock180 mRNA and protein were absent in B andD groups.Compared with A and C groups, p-ERK1/2 and Bcl-2 protein expression and cell proliferation rate were lower in B and D groups respectively (P<0.01), while Bax protein expression and cell apoptosis rate were higher in B and D groups respectively (P<0.05, P<0.01);Compared with A group, Dock180 mRNA and protein, p-ERK1/2 and Bcl-2 proteins and cell proliferation rate were reduced, while Bax protein and cell apoptosis rate were increased in C group(P<0.05,P<0.01).Compared with B group, p-ERK1/2 and Bcl-2 proteins and cell proliferation rate were decreased, while Bax protein and cell apoptosis rate were increased in D group(P<0.05,P<0.01).Conclusions Dock180 knockout with CRISPR/Cas9 can inhibit proliferation and promote apoptosis via p-ERK1/2, Bcl-2 and Bax in H9C2 cardiomyocytes.
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OBJECTIVE:To study the potential targets of Guizhi decoction regulating Ying and Wei based oncorrespondence between formulation and syndromerelationship and reverse molecular docking technology. METHODS:Active ingredients related to Guizhi decoction were obtained by literature retrievals,and PharmMapper Server was used for reverse molecular docking for ac-tive ingredients. The potential receptors of Guizhi decoction were found on the basis of docking scores,then AutoDock Vina was conducted for positive molecular docking test to observe the affinity between the ligand and the receptor molecule. 75 rats were ran-domly divided into normal group,model group,Guizhi decoction high-dose,medium-dose,low-dose groups(12,8,4 g/kg),15 in each group. Except for normal group,rats in other groups were induced for models with disharmony between Ying and Wei. Af-ter modeling,rats were intragastrically administrated once a day,for 5 d. After administration,11β-HSD1 expression levels in adi-pose tissue and muscle tissue of rats were detected. RESULTS:Reverse molecular docking for active ingredients of Guizhi decoc-tion found that 11β-HSD1 was the frequent receptor,and positive docking test confirmed that uralsaponin b,glycyrrhetnic acid and carbenoxolone and so on had higher affinity with 11β-HSD1. Results of animal test showed,compared with normal group,11β-HSD1 expression levels in adipose tissue and muscle tissue in model group were increased (P<0.05);and compared with model group,11β-HSD1 expression levels in adipose tissue and muscle tissue in Guizhi decoction high-dose group were decreased (P<0.05). CONCLUSIONS:Guizhi decoction regulating Ying and Wei has certain correlation with 11β-HSD1,while the reverse molec-ular docking technology can provide a feasible technical way to studycorrespondence between formulation and syndromerelation-ship.
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Resumo Introdução: apresenta-se uma análise do trabalho nos dois portos do Estado do Ceará – o Porto do Mucuripe, que, pela Lei de Modernização dos Portos de 1993, possui um Órgão Gestor de Mão de Obra responsável pela gestão dos Trabalhadores Portuários Avulsos, e o Porto do Pecém, terminal de uso privado misto, administrado por empresa pública, que funciona com prestadoras de serviços. Objetivos: comparar os portos quanto às condições de trabalho e à dinâmica laboral de operações específicas comuns aos dois portos, assim como os riscos à saúde dos trabalhadores envolvidos nas atividades operacionais. Métodos: entrevistas com gerentes, técnicos e trabalhadores, bem como observações e filmagens das operações portuárias nos anos de 2010 e 2011. Resultados: o trabalho em ambos os portos assemelha-se quanto a operações, maquinário e na exposição a riscos. A análise mostrou diferenças no tipo de carga manuseada nos dois portos e em algumas das atividades desenvolvidas, mas constatou-se que a principal diferença se dá na organização do trabalho. As diferenças residem na forma de contratação e remuneração, supervisão e ritmo de trabalho. Conclusões: as inovações tecnológicas, como informaram os entrevistados, levaram à redução de alguns agravos à saúde nos dois portos, mas a reestruturação produtiva, concretizada na lei, trouxe novos riscos ocupacionais e possibilitou a intensificação do ritmo de trabalho.
Abstract Introduction: this paper presents a dock work analysis of two ports localized in state of Ceará – Mucuripe which, after the implementation of the Brazilian Ports Modernization Act of 1993, has a Workmanship Management Agency, responsible for dockworkers management, and Pecém, which is a mixed private terminal, managed by a State-owned company that works through service providers. Objectives: to compare the work conditions and the labor dynamics of specific operations common to both ports, as well as the risks to the health of the workers involved in these operations. Methods: interviews with managers, technicians and workers, as well as observation and video recordings of dock operations taken during 2010 and 2011. Results: work on both ports resembles in operations, machinery and risk exposure. There were differences between the two ports on the type of load handled and in some operations. However, the main differences reside in the manner in which workers are hired and paid, in the supervision and work pace. Conclusions: as stated by the subjects interviewed, due to technological innovations, some risks have been reduced in the two ports, but productive restructuring has brought new occupational hazards and made the intensification of work possible.
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The main goal of this study is to understand and analyse the perspective of dockworkers on health and labour at the Railway Dry Port of the Municipality of Uruguaiana in the State of Rio Grande do Sul (RS), Brazil. Sixteen dockworkers participated in the study under the methodological approach of qualitative research. The fieldwork was conducted through individual interviews by applying a semi-structured research script with open-ended questions. For the data analysis, the "discourse analysis" method was adopted, leading to the definition of five thematic categories of interpretation. From the perspective of dockworkers, dock work differs in both the weight of toil, which is hard and intense, and the sense of satisfaction regarding the collaborative and collective aspect of labour, emphasising the human side of labour. Several reports on work accidents and the identification of hazards that may be avoided by implementing changes in the organisation and work conditions were also noted.
O objetivo principal deste artigo é conhecer e analisar a visão dos trabalhadores da estiva sobre a saúde e o trabalho no Porto Seco Ferroviário, do Município de Uruguaiana, no Estado do Rio Grande do Sul. Participaram do estudo dezesseis estivadores sob a perspectiva metodológica da pesquisa qualitativa. O trabalho de campo ocorreu mediante a realização de entrevistas individuais, por meio da aplicação de um roteiro de pesquisa semiestruturado com perguntas abertas. Quanto à análise dos dados, foi adotada a técnica de "análise do discurso", chegando-se à definição de cinco categorias temáticas de interpretação. Constatou-se que, na perspectiva dos trabalhadores, o trabalho na estiva se distingue tanto pelo peso da labuta, árdua e intensa, quanto pelo sentido de satisfação no tocante ao aspecto colaborativo e coletivo do trabalho, enfatizando o lado humano do labor. Observaram-se ainda muitos relatos sobre acidentes de trabalho e a identificação de riscos que podem ser evitados mediante a implementação de mudanças na organização e nas condições de trabalho.
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Humains , Douleur abdominale/thérapie , Syndrome du côlon irritable/thérapie , Ostéopathie/méthodes , Douleur abdominale/étiologie , Syndrome du côlon irritable/complicationsRÉSUMÉ
Hyper-IgE syndrome (HIES)is a complex primary immunodeficiency characterized by extremely high serum IgE levels, while presented a normal level of other immunoglobulins (IgG, IgA and IgM).Recent studies demonstrated that gene mutations, namely STAT3,Tyk2 or DOCK8 gene mutations, are the main mechanism of HIES.The clinical manifestations in HIES are significantly different in patients with different gene mutation.Therefore, investigation of the clinical manifestations caused by various gene mutations is very important, because it is beneficial not only for the clinical diagnosis and therapeutic evaluation, but also for scientific research.
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Diferentes inmunodeficiencias primarias se caracterizan por niveles elevados de IgE e infecciones cutáneas de origen viral. Describimos el caso de un niño de 2 años y 8 meses de edad, con inmunodeficiencia combinada, dermatitis y molusco contagioso diseminado. El paciente presentaba niveles aumentados de IgE, eosinofilia y marcada linfopenia a predominio de TCD8. Se encontraron alteraciones en los ensayos funcionales por cultivo y en la respuesta a la vacunación. Resultados normales de la proteína ZAP-70, funcionalidad NK y niveles de HLA I, tendientes a verificar alteraciones cuantitativas y funcionales de las células citotóxicas, llevaron a la sospecha de deficiencia en el gen DOCK8. El resultado positivo del estudio molecular, junto con las características clínicas e inmunológicas del paciente, confirmaron el diagnóstico de esta nueva inmunodeficiencia, que, de acuerdo con nuestro conocimiento, sería el primer caso diagnosticado en un hospital pediátrico en nuestro país.
Different primary immunodeficiencies present increased levels of IgE and cutaneous infections of viral etiology. We report a case of a 2 y, 8 m old boy with combined immunodeficiency, dermatitis and disseminated molluscum contagiosum. The patient presented high titers of IgE, eosinophilia and pronounced TCD8 lymphopenia. Impaired proliferation assays and abnormal antibody response to vaccination were found. Normal results of ZAP-70 protein, NK function, and HLA I levels, to test quantitatives and functional defects of cytotoxic cells, lead us to suspect a mutation in DOCK8 gene. Positive result in molecular study together with clinical and immunology features in the patient confirmed the diagnosis of this new immunodeficiency, being to the authors Ì knowledge the first case recorded in a paediatric hospital in our country.
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Humains , Mâle , Enfant d'âge préscolaire , Maladies de la peau/étiologie , Maladies de la peau/génétique , Facteurs d'échange de nucléotides guanyliques/génétique , Déficits immunitaires/complications , Déficits immunitaires/génétique , MutationRÉSUMÉ
Rice cultivation under aerobic condition not only saves water but also opens up a splendid scope for effective application of beneficial root symbionts in rice crop unlike conventional puddled rice cultivation where water logged condition acts as constraint for easy proliferation of various beneficial soil microorganisms like arbuscular mycorrhizal (AM) fungi. Keeping these in view, an in silico investigation were carried out to explore the interaction of hydrogen phosphate with phosphate transporter protein (PTP) from P. indica. This was followed by greenhouse investigation to study the response of aerobic rice to Glomus fasciculatum, a conventional P biofertilizer and P. indica, an alternative to AM fungi. Computational studies using ClustalW tool revealed several conserved motifs between the phosphate transporters from Piriformospora indica and 8 other Glomus species. The 3D model of PTP from P.indica resembling “Mayan temple” was successfully docked onto hydrogen phosphate, indicating the affinity of this protein for inorganic phosphorus. Greenhouse studies revealed inoculation of aerobic rice either with P. indica, G. fasciculatum or both significantly enhanced the plant growth, biomass and yield with higher NPK, chlorophyll and sugar compared to uninoculated ones, P. indica inoculated plants being superior. A significantly enhanced activity of acid phosphatase and alkaline phosphatase were noticed in the rhizosphere soil of rice plants inoculated either with P. indica, G. fasciculatum or both, contributing to higher P uptake. Further, inoculation of aerobic rice plants with P. indica proved to be a better choice as a potential biofertilizer over mycorrhiza.
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Aérobiose , Simulation numérique , Mycorhizes/génétique , Oryza/génétique , Oryza/parasitologie , Protéines de transport du phosphate/génétique , Phosphates/métabolisme , Racines de plante/génétique , Racines de plante/microbiologie , Pousses de plante , Rhizosphère , Microbiologie du sol , EauRÉSUMÉ
OBJECTIVE: To formulate the three-dimensional quantitative structure-activity relationship (3D-QSAR) model of 23-hydroxybetulinic acid derivatives with promising antitumor activity and study their molecular docking with topoisomerase I (Topo I).
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Este artigo trata de parte dos resultados de pesquisa realizada por equipe interdisciplinar sobre o processo de modernização do porto da cidade de Santos-SP e suas implicações na saúde e no adoecimento dos trabalhadores. Destaca a produção de subjetividade no contexto do trabalho portuário, uma vez que as transformações ocorridas estão marcadas na vivência de cada trabalhador e na vida de todo o coletivo de trabalhadores. Foram entrevistados 30 trabalhadores com idade entre 34 e 67 anos. As entrevistas semiestruturadas foram transcritas e submetidas a análise de conteúdo. Os resultados apontam para um universo peculiar do trabalho em que a modernidade e a tecnologia ainda são dependentes da intervenção física do trabalhador. Assim, corpo e saúde dos trabalhadores garantem a manutenção da produtividade portuária, mas sem que eles se sintam valorizados pelo trabalho. O contexto em transformação, desde a década de 1990, tem permitido aos trabalhadores, por meio de sua ação, produzir serviços e também produzir um novo modo de significar o trabalho e as relações ali constituídas. Ou seja, há um processo em que, ao mesmo tempo em que se produz o trabalho, os trabalhadores são produzidos por ele.
This article deals with some results from a large research conducted by an interdisciplinary team on the process of modernization of the port of Santos, in the State of São Paulo, and its implications on health and illness among workers. It focus on the production of subjectivity in the context of dock work, since the transformations that occurred mark the experience of each worker and the lives of the entire group of workers. Thirty workers aged between 34 to 67 years were interviewed. The semi-structured interviews were transcribed and submitted to content analysis. The results point to a peculiar universe of the work in which modernity and technology depend on workers' physical intervention. Thus, workers' body and health ensure the maintenance of port productivity, but they do not feel valued at work. The changing context since the 1990s has allowed workers, through their own actions, to produce services and also to produce a new way to create meaning to the work and the relationships formed there. That is, there is a process in which work is produced and, at the same time, workers are produced by work.
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Humains , Santé au travail , Travail , Conditions de Travail , Assainissement des PortsRÉSUMÉ
The 3D structure of enoyl reductase (ER) domain generated by the SWISS MODEL server contains the 2-nitropropane dioxygenase (2NPD) structure displaying the TIM barrel fold. Though TIM barrel fold is made up of both main and inserted domains, in our study, we could only predict the structure of the main domain, which had central barrel of eight β-strands surrounded by eight α-helices. Superimposition of the 2NPD region of ER domain of Mycobacterium tuberculosis H37Rv on to the corresponding region of 2UVA_G revealed a good structural alignment between the two, suggesting this template to be a good structural homologue. Among various herbal ligands that were screened as inhibitors, daucosterol was found to bind in closest proximity to the flavin mono nucleotide (FMN) binding site with the lowest docking energy
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Séquence d'acides aminés , Protéines bactériennes/composition chimique , Sites de fixation , Dioxygenases/composition chimique , Enoyl-(acyl-carrier protein) reductase (NADH)/composition chimique , Fatty acid synthases/composition chimique , Ligands , Modèles moléculaires , Données de séquences moléculaires , Mycobacterium tuberculosis/enzymologie , Conformation des protéines , Structure secondaire des protéines , Alignement de séquences/méthodes , Similitude de séquences d'acides aminésRÉSUMÉ
Objective To study the mechanism of the extract of three kinds of Chinese herbs in treating psoriasis.Methods Three kinds of Chinese herbs(coptis root,patience dock root and atratylodes rhizome) were extracted.With the culture of human transformed keratinocyte cell line colo-16 cells as a model,the single and compound effects on the growth of KC were studied before and after stimulated by TNF-?.Results The single and compound extract of three Chinese herbs could restrain the proliferation of KC before and after stimulated by TNF-?.The effect was more remarkable than the compared methotrexate and cyclosporin A(P