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Comprehensive in silico analysis of single nucleotide polymorphism and molecular dynamics simulation of human GATA6 protein in ventricular septal defect.
Narra J
December 2024
Division of Pediatric Cardiology, Department of Pediatric, Faculty of Medicine, Universitas Airlangga, Surabaya, Indonesia.
Congenital heart disease (CHD) represents nearly one-third of congenital birth defects annually, with ventricular septal defect (VSD) being the most common type. The aim of this study was to explore the role of specific GATA binding protein 6 gene () mutations as a potential etiological factor in the development of VSD through an in silico approach. Data were collected from the human gene databases: DisGeNET and GeneCards, with protein-protein interaction networks constructed via STRING and Cytoscape.
View Article and Find Full Text PDFPenalized G-estimation for effect modifier selection in a structural nested mean model for repeated outcomes.
Biometrics
January 2025
Department of Epidemiology, Biostatistics and Occupational Health, McGill University, Montreal, QC H3A 1G1, Canada.
Effect modification occurs when the impact of the treatment on an outcome varies based on the levels of other covariates known as effect modifiers. Modeling these effect differences is important for etiological goals and for purposes of optimizing treatment. Structural nested mean models (SNMMs) are useful causal models for estimating the potentially heterogeneous effect of a time-varying exposure on the mean of an outcome in the presence of time-varying confounding.
View Article and Find Full Text PDFTrypanosomosis and Transhumance: Contributions to Contemporary Conflicts Between Farmers and Herdsmen Along the Tsetse Fly Belts: Mathematical Modeling and Systematic Field Analysis Approach.
Acta Biotheor
January 2025
Department of Veterinary Parasitology and Entomology, Faculty of Veterinary Medicine, University of Ibadan, Ibadan, Nigeria.
Conflicts within the tsetse fly belt revealed a strong correlation between the dynamics of bovine trypanosomosis and the insurgency involving farmers and herders in Nigeria and parts of West Africa. This study examined the history, causes and influence of farmers-herdsmen conflicts on banditry, terrorism and food security as it relates to the epidemiology of African animal trypanosomosis (AAT). A combination of literature database searches, semi-structured questionnaires, and mathematical modeling was employed.
View Article and Find Full Text PDFDiscovery of a Potent Triazole-Based Reversible Targeted Covalent Inhibitor of Cruzipain.
ACS Med Chem Lett
January 2025
Sustainable Chemistry for Metals and Molecules, Department of Chemistry, KU Leuven, Leuven 3000, Belgium.
Cruzipain (CZP) is an essential cysteine protease of , the etiological agent of Chagas disease, and a promising druggable target. To date, no CZP inhibitors have reached clinical use, with research efforts mostly hampered by insufficient potency, limited target selectivity or lack of bioactivity translation from the isolated enzyme to the parasite in cellular environments. In this study, we report the design of , a 1,2,3-triazole-based targeted covalent inhibitor with nanomolar potency (IC = 28 nM) and null inhibition of human cathepsin L.
View Article and Find Full Text PDFEmpirical design of population health strategies accounting for the distribution of population health risks.
SSM Popul Health
March 2025
Department of Health and Social Behavior, School of Public Health, The University of Tokyo, Tokyo, Japan.
Recent discussions in epidemiology have emphasised the need to estimate the heterogeneous effects of risk factors across the distribution of health outcomes for better aetiological understanding of the determinants of population health. We propose using quantile regression-based decomposition to expand the empirical discussion on population health intervention strategies for health equity by incorporating population homogeneity/heterogeneity in the risk-outcome association. We theorised that the 'proportionate universalism' approach presumes population homogeneity in the risk-outcome association with varying risk intensities, which decomposition analysis shows as the 'covariates part' between groups.
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