Support Vector Machine as a Supervised Learning for the Prioritization of Novel Potential SARS-CoV-2 Main Protease Inhibitors.

In the last year, the COVID-19 pandemic has highly affected the lifestyle of the world population, encouraging the scientific community towards a great effort on studying the infection molecular mechanisms. Several vaccine formulations are nowadays available and helping to reach immunity. Nevertheless, there is a growing interest towards the development of novel anti-covid drugs. In this scenario, the main protease (Mpro) represents an appealing target, being the enzyme responsible for the cleavage of polypeptides during the viral genome transcription. With the aim of sharing new insights for the design of novel Mpro inhibitors, our research group developed a machine learning approach using the support vector machine (SVM) classification. Starting from a dataset of two million commercially available compounds, the model was able to classify two hundred novel chemo-types as potentially active against the viral protease. The compounds labelled as actives by SVM were next evaluated through consensus docking studies on two PDB structures and their binding mode was compared to well-known protease inhibitors. The best five compounds selected by consensus docking were then submitted to molecular dynamics to deepen binding interactions stability. Of note, the compounds selected via SVM retrieved all the most important interactions known in the literature.

Upregulation of innate antiviral restricting factor expression in the cord blood and decidual tissue of HIV-infected mothers.

Programs for the prevention of mother-to-child transmission of HIV have reduced the transmission rate of perinatal HIV infection and have thereby increased the number of HIV-exposed uninfected (HEU) infants. Natural immunity to HIV-1 infection in both mothers and newborns needs to be further explored. In this study, we compared the expression of antiviral restricting factors in HIV-infected pregnant mothers treated with antiretroviral therapy (ART) in pregnancy (n=23) and in cord blood (CB) (n=16), placental tissues (n=10-13) and colostrum (n=5-6) samples and compared them to expression in samples from uninfected (UN) pregnant mothers (n=21). Mononuclear cells (MNCs) were prepared from maternal and CB samples following deliveries by cesarean section. Maternal (decidua) and fetal (chorionic villus) placental tissues were obtained, and colostrum was collected 24 h after delivery. The mRNA and protein expression levels of antiviral factors were then evaluated. We observed a significant increase in the mRNA expression levels of antiviral factors in MNCs from HIV-infected mothers and CB, including the apolipoprotein B mRNA-editing enzyme 3G (A3G), A3F, tripartite motif family-5α (TRIM-5α), TRIM-22, myxovirus resistance protein A (MxA), stimulator of interferon (IFN) genes (STING) and IFN-ß, compared with the levels detected in uninfected (UN) mother-CB pairs. Moreover, A3G transcript and protein levels and α-defensin transcript levels were decreased in the decidua of HIV-infected mothers. Decreased TRIM-5α protein levels in the villi and increased STING mRNA expression in both placental tissues were also observed in HIV-infected mothers compared with uninfected (UN) mothers. Additionally, colostrum cells from infected mothers showed increased tetherin and IFN-ß mRNA levels and CXCL9 protein levels. The data presented here indicate that antiviral restricting factor expression can be induced in utero in HIV-infected mothers. Future studies are warranted to determine whether this upregulation of antiviral factors during the perinatal period has a protective effect against HIV-1 infection.

Qualidade de vida em mulheres praticantes de Hatha Ioga / Quality of life in female practitioners of Hatha Yoga

O objetivo do presente estudo foi avaliar, em um grupo de mulheres saudáveis, os efeitos da prática regular de Ioga sobre a qualidade de vida. Tratou-se de um estudo transversal controlado, no qual participaram 25 mulheres saudáveis, com idades entre 20 e 59 anos, divididas nos grupos IOGA (praticantes há pelo menos seis meses) e CONTROLE (sedentárias), compostos respectivamente por 13 e 12 voluntárias. A qualidade de vida foi avaliada utilizando-se o questionário SF-36. Para análise estatística foram realizados o teste t independente e as provas não paramétricas de Mann-Whitney. O grupo IOGA apresentou pontuação significativamente mais elevada no domínio “dor” e no escore físico geral (p < 0,05) do questionário SF-36. Concluímos que, na população avaliada, a prática regular de Hatha Ioga demonstrou ser capaz de influenciar positivamente determinados aspectos da qualidade de vida.

The aim of the present study was to evaluate, in a group of healthy women, whether the regular practice of Hatha Yoga could have an impact on their quality of life. It was a transversal controlled study, composed by 25 women, aged between 20 and 59 years, divided in two groups: YOGA (at least six months of Hatha Yoga practice) and CONTROL (non-active women), composed by 13 and 12 volunteers, respectively. The quality of life was assessed through the SF-36 questionnaire. The statistical procedures included the independent t test and the Mann-Whitney tests. The YOGA group presented higher scores in the “body pain” domain and in the general physical score (p < 0,05). It can be concluded that, in the assessed population, the regular practice of Hatha Yoga has positively influenced some aspects of the quality of life.

[Health practices in the reorientation of primary care in Rio de Janeiro State, Brazil, from the perspective of users and health professionals]. / Práticas em saúde no contexto de reorientação da atenção primária no Estado do Rio de Janeiro, Brasil, na visão das usuárias e dos profissionais de saúde.

This evaluative study focused on expansion of the Family Health Strategy in large cities in Rio de Janeiro State, Brazil. The study analyzed the functionality of health care modalities, performance, and supply of comprehensive care itself and its link to services at other levels. The thrust of the analysis was comprehensiveness of care in the daily routine of health services, with a focus on childbearing-age women, and with pregnancy as the tracer condition. The results emerged from an analysis of focus groups with health care users and health professionals, based on: characterization of key actors; their perceptions concerning health, healthcare model, and organization of primary care services and practices. The groups suggested that the actors perceive health as identified with social determinants. Access to services and actions was differentiated in the family health unit by enrollment of the clientele and active search, and the study showed the lack of a structured network. The study indicates that work processes contemplating the social determination of health and its intersectorality can lead to expanded access to comprehensive care for childbearing-age women.