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OBJECTIVE: To evaluate the effectiveness of the online version of the Chronic Disease Self-Management Program (CDSMP) on physical activity and depressive symptoms in individuals with non-communicable diseases (NCDs) in Mexico and Peru during the COVID-19 pandemic. MATERIALS AND METHODS: Quasi-experimental study with a non-probability sample of 114 people with NCDs, recruited by invitation in Mexico and by convenience in Peru. The participants were assigned to intervention (n = 85) and control (n = 29) groups. The Personal Health Questionnaire (PHQ-8) and the Physical Activity Scale were used to assess the outcomes. Measurements were taken before and after the intervention. The CDSMP comprises six sessions that take place once per week and last 2.5 h each. RESULTS: The intervention group showed a significant reduction in depressive symptoms and an increase in physical activity (PA) at the end of the program. In contrast, the control group showed no significant improvement in depression and presented a significant decrease in PA.
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Within the framework of natural orbital functional theory, having a convenient representation of the occupation numbers and orbitals becomes critical for the computational performance of the calculations. Recognizing this, we propose an innovative parametrization of the occupation numbers that takes advantage of the electron-pairing approach used in Piris natural orbital functionals through the adoption of the softmax function, a pivotal component in modern deep-learning models. Our approach not only ensures adherence to the N-representability of the first-order reduced density matrix (1RDM) but also significantly enhances the computational efficiency of 1RDM functional theory calculations. The effectiveness of this alternative parameterization approach was assessed using the W4-17-MR molecular set, which demonstrated faster and more robust convergence compared to previous implementations.
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Las enfermedades no transmisibles (ENT) son una creciente preocupación global que afecta tanto a la atención médica como a la calidad de vida. Los programas de automanejo de enfermedades crónicas como el denominado "Tomando Control de su Salud" (TCS), se han vuelto estrategias efectivas para abordar este problema. OBJETIVO: Evaluar el resultado del programa TCS, versión en línea, en las variables automanejo y autoeficacia, en muestras de personas con ENT de México y Perú, durante la pandemia por COVID-19. METODOLOGÍA: El diseño del estudio fue cuasiexperimental con mediciones independientes (intervenidos y controles) y mediciones en línea, al inicio y término de la intervención; evaluadas con Partners in Health Scale y la Escala de Autoeficacia. Los cambios en el tiempo se examinaron mediante la prueba de Wilcoxon. RESULTADOS: De los 114 participantes, la mayoría eran mujeres (83.3%) con una edad promedio de 58.8 años. Antes de la intervención, los grupos fueron iguales en las variables de estudio. No se encontró ningún aumento significativo en las variables de estudio en el grupo control, sin embargo, hubo un aumento estadísticamente significativo en la autoeficacia y automanejo en el grupo intervenido. CONCLUSIONES: El programa TCS en línea contribuyó al aumento de la autoeficacia, el automanejo, el conocimiento de la enfermedad, la adherencia al tratamiento y el manejo de síntomas en participantes con ENT de México y Perú durante la pandemia de COVID-19. Esto respalda la evidencia de que el programa mejora la salud y la calidad de vida de quienes viven con estas enfermedades.
Non-communicable diseases (NCD) are a growing global concern that affects both healthcare and quality of life. Chronic disease self-management programs, such as "Tomando Control de su Salud" (TCS), have become effective strategies to address this problem. PURPOSE: To evaluate the results of the TCS program, online version, in the self-management and self-efficacy variables, in samples of people with NCD from Mexico and Peru, during the COVID-19 pandemic. METHODOLOGY: The study design was quasi-experimental with independent measurements (interventions and controls) and online measurements, at the beginning and end of the intervention; evaluated with the Partners in Health Scale and the Self-Efficacy Scale. Changes over time were examined using the Wilcoxon test. RESULTS: Out of the 114 participants, most were women (83.3%) with an average age of 58.8 years. Before the intervention, the groups were equal in the study variables. No significant increase in the study variables was found in the control group; however, there was a statistically significant increase in self-efficacy and self-management in the intervention group. CONCLUSIONS: The online TCS program contributed to increased self-efficacy, self-management, disease knowledge, treatment adherence, and symptom management in participants with NCD from Mexico and Peru during the COVID-19 pandemic. This supports evidence that the program improves the health and quality of life of those living with these illnesses.
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Cervical cancer is a malignant neoplastic disease, mainly associated to HPV infection, with high mortality rates. Among natural products, iridoids have shown different biological activities, including cytotoxic and antitumor effects, in different cancer cell types. Geniposide and its aglycone Genipin have been assessed against different types of cancer. In this work, both iridoids were evaluated against HeLa and three different cervical cancer cell lines. Furthermore, we performed a SAR analysis incorporating 13 iridoids with a high structural similarity to Geniposide and Genipin, also tested in the HeLa cell line and at the same treatment time. Derived from this analysis, we found that the dipole moment (magnitude and direction) is key for their cytotoxic activity in the HeLa cell line. Then, we proceeded to the ligand-based design of new Genipin derivatives through a QSAR model (R2 = 87.95 and Q2 = 62.33) that incorporates different quantum mechanic molecular descriptor types (ρ, ΔPSA, ∆Polarizability2, and logS). Derived from the ligand-based design, we observed that the presence of an aldehyde or a hydroxymethyl in C4, hydroxyls in C1, C6, and C8, and the lack of the double bond in C7-C8 increased the predicted biological activity of the iridoids. Finally, ten simple iridoids (D9, D107, D35, D36, D55, D56, D58, D60, D61, and D62) are proposed as potential cytotoxic agents against the HeLa cell line based on their predicted IC50 value and electrostatic features.
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Among the biological targets extensively investigated to improve inflammation and chronic inflammatory conditions, cyclooxygenase enzymes (COXs) occupy a prominent position. The inhibition of these enzymes, essential for mitigating inflammatory processes, is chiefly achieved through Non-Steroidal Anti-Inflammatory Drugs (NSAIDs). In this work, we introduce a novel method-based on computational molecular docking-that could aid in the structure-based design of new compounds or the description of the anti-inflammatory activity of already-tested compounds. For this, we used eight crystal complexes (four COX-1 and COX-2 each), and each pair had a specific NSAID: Celecoxib, Meloxicam, Ibuprofen, and Indomethacin. This selection was based on the ligand selectivity towards COX-1 or COX-2 and their binding mode. An interaction profile of each NSAID was compiled to detect the residues that are key for their binding mode, highlighting the interaction made by the Me group. Furthermore, we rigorously validated our models based on structural accuracy (RMSD < 1) and (R2 > 70) using eight NSAIDs and thirteen compounds with IC50 values for each enzyme. Therefore, this model can be used for the binding mode prediction of small and structurally rigid compounds that work as COX inhibitors or the prediction of new compounds that are designed by means of a structure-based approach.
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In this work, we carried out the design and synthesis of new chimeric compounds from the natural cytotoxic chalcone 2',4'-dihydroxychalcone (2',4'-DHC, A) in combination with cinnamic acids. For this purpose, a descriptive and predictive quantitative structure-activity relationship (QSAR) model was developed to study the chimeric compounds' anti-cancer activities against human breast cancer MCF-7, relying on the presence or absence of structural motifs in the chalcone structure, like in a Free-Wilson approach. For this, we used 207 chalcone derivatives with a great variety of structural modifications over the α and ß rings, such as halogens (F, Cl, and Br), heterocyclic rings (piperazine, piperidine, pyridine, etc.), and hydroxyl and methoxy groups. The multilinear equation was obtained by the genetic algorithm technique, using logIC50 as a dependent variable and molecular descriptors (constitutional, topological, functional group count, atom-centered fragments, and molecular properties) as independent variables, with acceptable statistical parameter values (R2 = 86.93, Q2LMO = 82.578, Q2BOOT = 80.436, and Q2EXT = 80.226), which supports the predictive ability of the model. Considering the aromatic and planar nature of the chalcone and cinnamic acid cores, a structural-specific QSAR model was developed by incorporating geometrical descriptors into the previous general QSAR model, again, with acceptable parameters (R2 = 85.554, Q2LMO = 80.534, Q2BOOT = 78.186, and Q2EXT = 79.41). Employing this new QSAR model over the natural parent chalcone 2',4'-DHC (A) and the chimeric compound 2'-hydroxy,4'-cinnamate chalcone (B), the predicted cytotoxic activity was achieved with values of 55.95 and 17.86 µM, respectively. Therefore, to corroborate the predicted cytotoxic activity compounds A and B were synthesized by two- and three-step reactions. The structures were confirmed by 1H and 13C NMR and ESI+MS analysis and further evaluated in vitro against HepG2, Hep3B (liver), A-549 (lung), MCF-7 (breast), and CasKi (cervical) human cancer cell lines. The results showed IC50 values of 11.89, 10.27, 56.75, 14.86, and 29.72 µM, respectively, for the chimeric cinnamate chalcone B. Finally, we employed B as a molecular scaffold for the generation of cinnamate candidates (C-K), which incorporated structural motifs that enhance the cytotoxic activity (pyridine ring, halogens, and methoxy groups) according to our QSAR model. ADME/tox in silico analysis showed that the synthesized compounds A and B, as well as the proposed chalcones C and G, are the best candidates with adequate drug-likeness properties. From all these results, we propose B (as a molecular scaffold) and our two QSAR models as reliable tools for the generation of anti-cancer compounds over the MCF-7 cell line.
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Antineoplásicos , Chalcona , Chalconas , Humanos , Células MCF-7 , Chalcona/farmacología , Chalconas/química , Cinamatos/farmacología , Antineoplásicos/química , Piridinas/farmacología , Proliferación Celular , Relación Estructura-Actividad , Línea Celular Tumoral , Estructura Molecular , Ensayos de Selección de Medicamentos AntitumoralesRESUMEN
Adolescence is a difficult stage, a period of risk for developing disorders, including depression and self-injurious behavior. A non-random sample was drawn (n = 563) from first-year high school students (32.8%) 185 males and 378 females (67.14%) from public schools in Mexico. The age range was 15 and 19 years, with a mean age of 15.63 (SD = 0.78). According to the results, the sample was divided into n1 = 414 (73.3%) adolescents without self-injury (S.I.) and n2 = 149 (26.4%) S.I. adolescents. In addition, results were obtained on methods, motives, time, and frequency of S.I., and a model was generated in which depression and first sexual experience obtained the highest Odd Ratio and d values in their relationship with S.I. Finally, we contrasted the results with earlier reports and concluded that depression is an important variable in S.I. behavior. Early S.I. detection will prevent the aggravation of S.I. and suicide attempts.
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As the rate of discovery of new antibacterial compounds for multidrug-resistant bacteria is declining, there is an urge for the search for molecules that could revert this tendency. Acinetobacter baumannii has emerged as a highly virulent Gram-negative bacterium that has acquired multiple resistance mechanisms against antibiotics and is considered of critical priority. In this work, we developed a quantitative structure-property relationship (QSPR) model with 592 compounds for the identification of structural parameters related to their property as antibacterial agents against A. baumannii. QSPR mathematical validation (R2 = 70.27, RN = -0.008, a(R2) = 0.014, and δK = 0.021) and its prediction ability (Q2LMO= 67.89, Q2EXT = 67.75, a(Q2) = -0.068, δQ = 0.0, rm2¯ = 0.229, and Δrm2 = 0.522) were obtained with different statistical parameters; additional validation was done using three sets of external molecules (R2 = 72.89, 71.64 and 71.56). We used the QSPR model to perform a virtual screening on the BIOFACQUIM natural product database. From this screening, our model showed that molecules 32 to 35 and 54 to 68, isolated from different extracts of plants of the Ipomoea sp., are potential antibacterials against A. baumannii. Furthermore, biological assays showed that molecules 56 and 60 to 64 have a wide antibacterial activity against clinically isolated strains of A. baumannii, as well as other multidrug-resistant bacteria, including Staphylococcus aureus, Escherichia coli, Klebsiella pneumonia, and Pseudomonas aeruginosa. Finally, we propose 60 as a potential lead compound due to its broad-spectrum activity and its structural simplicity. Therefore, our QSPR model can be used as a tool for the investigation and search for new antibacterial compounds against A. baumannii.
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Despite the significant advances in research on diabetes, relatively few researchers have examined the theoretical and empirical usefulness of explanatory models that contribute to self-management of the disease. In response to the theoretical and empirical approaches related to this topic, the objective of this research was to assess a hypothetical model to explain self-management behavior in patients with type II diabetes through structural equation modeling in a population of users of the services of the State Health Department of Tamaulipas, Mexico. The study used a cross-sectional and explanatory design. The sample was intentional. A total of 183 patients with a diabetes diagnosis completed a sociodemographic data questionnaire, the Partners in Health Scale, the Duke-UNC-11, the Family Apgar, the Self-Efficacy Scale, the Personal Health Questionnaire and the Physical Activity Scale. The results indicated that the hypothetical model was improved by excluding the exercise variable. The appropriate model was used to determine the effects of depression, social support, self-efficacy, family functioning, years of formal education and years with a diagnosis on self-management. The goodness-of-fit indices (GFIs) were good, i.e., χ2/gl = 0.89 (p = 0.529), root mean square error of approximation (RMSEA) = 0.000, and comparative fit index (CFI) = 1.000, with an acceptable degree of parsimony (PNFI = 0.409 and PGFI = 317). The model explained 33.6% of the variance. Therefore, this model represents an important advance in knowledge concerning self-management and provides empirical and theoretical evidence, particularly for the Mexican or Latino population.
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Resumen La actual pandemia SARS-CoV-2 ha cambiado nuestra manera de trabajar y relacionarnos. Fue notificada en Wuhan, provincia de Hubei, en China, en diciembre de 2019. Habían existido dos brotes previos importantes de Coronavirus: el SARS, en 2002-2003 y el MERS, en 2012. Este artículo pretende ser una breve revisión acerca de algunos aspectos de la infección COVID-19 desde los aspectos fisiopatológicos, hallazgos por imagen y de las principales indicaciones de las pruebas de imagen, si bien estas siempre serán individualizadas. Tampoco podemos dejar de lado la posibilidad de que algunos de estos pacientes presente una evolución a fibrosis pulmonar. Finalmente, mencionaremos algunas recomendaciones para protegernos en nuestro puesto de trabajo.
Abstract The current SARS-CoV-2 pandemic has changed the way we work and interact. It was notified in Wuhan, Hubei province, China, in December 2019. There had been two previous major outbreaks of Coronavirus: SARS in 2002-2003 and MERS in 2012. This article aims to be a brief review of some aspects of the COVID-19 infection from the pathophysiological aspects, imaging findings, as well as the main indications for the imaging, although these will always be individualized. We cannot ignore the possibility that some of these patients may present evolution to pulmonary fibrosis. Finally, we will mention some recommendations to protect ourselves in our workplace.
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Resumen En la actualidad existe evidencia suficiente de los efectos de los programas de prevención de anorexia y bulimia nerviosas evidencia que se ha documentado mediante trabajos de meta-análisis o revisiones sistematizadas. Particularmente en México, se han evaluado diferentes estrategias de prevención que aportan conocimiento valioso al tema. Por lo anterior, objetivo fue proponer un modelo de prevención de anorexia y bulimia basado en el nivel de riesgo, y sustentarlo mediante aportaciones empíricas. Dichas aportaciones permiten concluir que el modelo teórico-práctico representa una herramienta útil para implementar los programas de prevención, una vez identificado el nivel de riesgo e implementando la categoría adecuada (universal, selectiva e indicada) con el propósito de eliminar o disminuir los factores de riesgo o sintomatología asociada a imagen corporal y conductas alimentarias de riesgo. Así también, se puede disminuir el efecto iatrogénico asociado a estos programas. Finalmente se concluye que es la prevención selectiva la que presenta los mejores resultados.
Abstract Nowdays, there's enough evidence of the effects of Eating Disorders Prevention Programs, evidence that has been documented through meta-analysis or systematic reviews. Particularly in Mexico, different prevention strategies that provide valuable knowledge to the subject has been evaluated. Therefore, the objective was it propose a model of anorexia y bulimia prevention based on the level of risk, sustain it through empirical contributions. These contributions, allows to conclude that the theorical-practical model represents a helpful tool to implement prevention programs, at once the leve lof risk is identified and implementing the appropiate category (selective,universal and indicated) with the purpose of eliminating or decrease the risk factors or symptomatology related with body image and risky eating behaviors. Also the iatrogenic effects associated with these programs can be reduced. Finally, it is concluded that is selective prevention that presents the best results.
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Background: Physical inactivity is a highly prevalent condition in the world and has been associated with increased susceptibility to develop comorbidities and present with severe respiratory distress syndrome due to COVID-19. Objective: To identify the factors present in the family environment and the personal reasons associated with physical inactivity in young people during confinement at home due to COVID-19. Material and methods: A cross-sectional study analyzed data from 1,326 young people, ages 15 - 18. To collect information, a questionnaire was constructed using the Google Forms tool and distributed through the WhatsApp application and email to collect the information. Results: The prevalence of physical inactivity was 43.4%. Approximately 24.4% were overweight, and 8.8% were obese. Near 43.0% of young people reported living in an environment with a dysfunctional family. The multivariate logistic regression analysis showed that suffering from obesity, does not have space at home, or devices to exercise and present a change in emotions, are related to the physical inactivity of young people during confinement at home due to the COVID-19 pandemic. Conclusions: It is important to promote a harmonious environment within the family and the personal development of a healthy lifestyle, during the period of application of the contingency plan due to the presence of a pandemic, in order to maintain a better healthy physical and mental state.
Introducción: la inactividad física es una condición altamente prevalente en el mundo y ha sido asociada con una mayor susceptibilidad para desarrollar comorbilidades y presentar síndrome de distrés respiratorio agudo por COVID-19. Objetivo: identificar los factores presentes en el entorno familiar y los motivos personales asociados a la inactividad física en jóvenes durante el confinamiento en casa debido a la COVID-19. Material y métodos: mediante un estudio transversal se analizaron los datos de 1326 jóvenes de 15 a 18 años. Para la recogida de la información se construyó un cuestionario mediante la herramienta de Google Forms y se distribuyó a través de la aplicación de WhatsApp y por correo electrónico. Resultados: la prevalencia de inactividad física fue del 43.4%. Aproximadamente, el 24.4% sufría de sobrepeso y el 8.8% de obesidad. El 42.8% de los jóvenes declaró vivir en el ambiente de una familia disfuncional. El análisis de regresión logística multivariado mostró que tener obesidad, no contar con espacio en casa, ni aparatos para realizar ejercicio y presentar un cambio en las emociones, se relaciona con la inactividad física de los jóvenes durante el confinamiento en casa. Conclusión: es importante promover un ambiente armónico en el seno familiar, así como el desarrollo personal de un estilo de vida saludable durante el periodo de aplicación del plan de contingencia debido a la presencia de una pandemia, con la finalidad de mantener un mejor estado físico y mental saludable.
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COVID-19 , Conducta Sedentaria , Humanos , Adolescente , COVID-19/epidemiología , Pandemias , Estudios Transversales , Ejercicio Físico , Obesidad/epidemiologíaRESUMEN
Background: B-cell precursor acute lymphoblastic leukemia (BCP-ALL) is the most frequent pediatric cancer worldwide. Despite improvements in treatment regimens, approximately 20% of the cases cannot be cured, highlighting the necessity for identifying new biomarkers to improve the current clinical and molecular risk stratification schemes. We aimed to investigate whether LINC00173 is a biomarker in ALL and to explore its expression level in other human cancer types. Methods: A nested case-control study including Mexican children with BCP-ALL was conducted. LINC00173 expression was evaluated by qRT-PCR using hydrolysis probes. To validate our findings, RNA-seq expression data from BCP-ALL and normal tissues were retrieved from Therapeutically Applicable Research to Generate Effective Treatments (TARGET) and Genotype-Tissue Expression (GTEx) repositories, respectively. LINC00173 expression was also evaluated in solid tumors by downloading available data from The Cancer Genome Atlas (TCGA). Results: A lower expression of LINC00173 in BCP-ALL cases compared to normal subjects was observed (p < 0.05). ALL patients who carry the TCF3/PBX1 fusion gene displayed lower expression of LINC00173 in contrast to other BCP-ALL molecular subtypes (p < 0.04). LINC00173 underexpression was associated with a high risk to relapse (HR = 1.946, 95% CI = 1.213-3.120) and die (HR = 2.073, 95% CI = 1.211-3.547). Patients with TCF3/PBX1 and underexpression of LINC00173 had the worst prognosis (DFS: HR = 12.24, 95% CI = 5.04-29.71; OS: HR = 11.19, 95% CI = 26-32). TCGA data analysis revealed that underexpression of LINC00173 is also associated with poor clinical outcomes in six new reported tumor types. Conclusion: Our findings suggest that LINC00173 is a biomarker of poor prognosis in BCP-ALL and other types of cancer. We observed an association between the expression of LINC00173 and TCF3/PBX1 and the risk to relapse and die in BCP-ALL, which is worse in TCF3/PBX1-positive cases displaying underexpression of LINC00173. Experimental studies are needed to provide insight into the LINC00173 and TCF3/PBX relationship.
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The inactivatedsevere acute respiratory syndrome coronavirus 2 vaccine (CoronaVac) has been the principal vaccine used in Chile's prebooster immunization campaign. We compared major outcomes in 206 hospitalized vaccinated adults vs 507 unvaccinated adults (mid-2021). Individuals in the vaccinated group were much older, required less critical care, had lower mortality (adjusted by age), and had shorter hospitalization than those in the unvaccinated group. Benefits were most pronounced in those ≥60years of age.
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The objective of this study was to evaluate the validity and reliability of OTESSED, an online test for the self-detection and prevention of risk factors for eating disorders and related problems, such as depression, social anxiety, and self-injury, in samples of male and female adolescents. Participants formed a non-probability sample of N = 577 high school students. The mean ages of boys and girls were the same (Mage = 15.61; SD = 0.73). Among the main results, scales of depression, self-injury, social anxiety, and risky eating behavior (REB) with construct validity (CFA) were obtained. The first two showed the same structure (two factors per sex), with an appropriate reliability omega value (0.92), and a similar percentage of explained variance (≥50). The REB scale presented two factors for boys and three for girls, with an appropriate omega value (0.88) and explained variance percentage (0.56). The instrument validation process was completed, meeting the discriminant validity criterion for each scale of the OTESSED.
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Trastornos de Alimentación y de la Ingestión de Alimentos , Conducta Autodestructiva , Humanos , Masculino , Femenino , Adolescente , Depresión/diagnóstico , Depresión/epidemiología , Psicometría/métodos , Reproducibilidad de los Resultados , Autoevaluación , Trastornos de Alimentación y de la Ingestión de Alimentos/diagnóstico , Trastornos de Alimentación y de la Ingestión de Alimentos/epidemiología , Ansiedad/diagnóstico , Encuestas y CuestionariosRESUMEN
OBJECTIVE: to identify predictive variables of caregiver overload in the southern area of Tamaulipas. MATERIAL AND METHODS: the intentional sample was of 215 informal caregivers and/or relatives of people with chronic diseases, users of two General Hospitals of Tamaulipas, Mexico. The study design was transversal and explanatory. RESULTS: more than half of the sample presented problems of overload (53%) and family dysfunction (51.6%). Also, it was detected that just over half is perceived with medium and low level of caregiving competencies (45.6%) and in some category of depression (39.1%). In the regression model, four predictors of overload were identified: depression, caregiving competencies, dependence on the caregiver and time spent on caregiving. The adjusted R2 = .33, indicates that these 4 variables explain one third of the variance of overload. In addition, the family functionality and age variables were not significant for the model. CONCLUSIONS: the profile of informal caregivers in this study sample coincides with that reported in the international literature and that the model of predictors of caregiving overload allowed the identification of some variables that influence caregiver overload.
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Humanos , Masculino , Femenino , Adulto , Persona de Mediana Edad , Anciano , Cuidadores/psicología , Composición Familiar , Relaciones Familiares , MéxicoRESUMEN
Chitinases represent an alternative therapeutic target for opportunistic invasive mycosis since they are necessary for fungal cell wall remodeling. This study presents the design of new chitinase inhibitors from a known hydrolysis intermediate. Firstly, a bioinformatic analysis of Aspergillus fumigatus chitinase B1 (AfChiB1) and chitotriosidase (CHIT1) by length and conservation was done to obtain consensus sequences, and molecular homology models of fungi and human chitinases were built to determine their structural differences. We explored the octahydroisoindolone scaffold as a potential new antifungal series by means of its structural and electronic features. Therefore, we evaluated several synthesis-safe octahydroisoindolone derivatives by molecular docking and evaluated their AfChiB1 interaction profile. Additionally, compounds with the best interaction profile (1-5) were docked within the CHIT1 catalytic site to evaluate their selectivity over AfChiB1. Furthermore, we considered the interaction energy (MolDock score) and a lipophilic parameter (aLogP) for the selection of the best candidates. Based on these descriptors, we constructed a mathematical model for the IC50 prediction of our candidates (60-200 µM), using experimental known inhibitors of AfChiB1. As a final step, ADME characteristics were obtained for all the candidates, showing that 5 is our best designed hit, which possesses the best pharmacodynamic and pharmacokinetic character.
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Antifúngicos/química , Aspergillus fumigatus/enzimología , Quitinasas , Inhibidores Enzimáticos/química , Proteínas Fúngicas , Simulación del Acoplamiento Molecular , Quitinasas/antagonistas & inhibidores , Quitinasas/química , Proteínas Fúngicas/antagonistas & inhibidores , Proteínas Fúngicas/química , Hexosaminidasas/antagonistas & inhibidores , Hexosaminidasas/químicaRESUMEN
Kinetically controlled cyclocondensation of stereoisomeric and ring-chain tautomeric mixture of (±)-hydroxylactone 1 and 0.5 equiv of (R)-phenylglycinol provided tricyclic oxazoloisoindolone lactam (3R,5aS,9aR,9bS)-2a, a versatile intermediate for further stereocontrolled transformations to access enantiopure cis-fused octahydroisoindolones. An extension of this methodology was successfully applied to the synthesis of the 5,6-dihydroxy derivative (3aR,5R,6S,7aS)-17.
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Lactamas , EstereoisomerismoRESUMEN
Given the lack of scales with a robust psychometric assessment of self-efficacy related to obesity in early adolescence, we aimed to obtain an instrument with high-quality validity and reliability items. Nonrandom samples (N = 2371) classified boys (1174, M = 12.83, SD = 0.84) and girls (1197, M = 12.68, SD = 0.78) from Mexico City and some cities of the Mexican Republic with obesity rates near to the national level mean. A multi-validity process and structural invariance analysis using the Perceived Self-efficacy Scale for Obesity Prevention were performed. A two-factor-physical activity and healthy eating-model with high effect-sized values-girls R2 (0.88, p < 0.01) and boys R2 (0.87, p < 0.01)-were obtained. Each factor explained more than half of the variance with high-reliability coefficients in each group and acceptable adjustment rates. The self-efficacy scale proved to have only girls, an invariant factor structure, or a psychometric equivalence between the groups. The obtained scale showed that a two-factor structure is feasible and appropriate, according to the highest quality of validity and reliability.
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Introducción: la depresión materna interfiere en la crianza y la alimentación de los hijos a través de conductas de alimentación infantil. Objetivo: examinar cómo la depresión materna predispone al desarrollo de sobrepeso y obesidad infantil. Metodología: revisión integrativa empleando la metodología de Whittemore y Knafl, y la declaración PRISMA, en PubMed y CONRICyT, utilizando los descriptores "depression", "depressive symptoms","mothers" y "childhood obesity", e incluyendo artículos con metodología cuantitativa publicados entre 2013 y 2020 cuyos indicadores fueran peso y conductas en la población infantil. Resultados: en 22 artículos se identificaron vías conductuales, como conductas maternas de alimentación, estilos de alimentación, prácticas de alimentación infantil, inseguridad alimentaria y recurrencia de la depresión. Conclusión: seis vías conductuales poco aptas para la alimentación y el desarrollo se identificaron como mediadoras entre la depresión y el aumento de peso infantil.
Introduction: Maternal depression interferes with raising and feeding children through infant feeding behaviors. Objective: To examine how maternal depression predisposes to the development of childhood overweight and obesity. Methods: An integrative review with the Whittemore & Knafl methodology and the PRISMA background in PubMed and CONRICyT, using descriptors "depression","depressive symptomatology","mothers" and "childhood obesity". Articles with a quantitative methodology, from 2013 to 2020, with analysis of weight or behavior indicators in the child population were included. Results: In 22 articles, behavioral pathways were identified, such as: maternal eating behaviors, feeding styles, feeding practices, food insecurity and recurrence of depression. Conclusions: Six behavioral pathways unsuitable for eating and development were identified as mediators between depression and infant weight gain.