The underlying cellular mechanisms that characterize aging are complex and multifaceted. However, it is emerging that aging could be regulated by two distinct metabolic hubs. These hubs are the pathway defined by the mammalian target of rapamycin (mTOR) and that defined by the NAD+-dependent deacetylase enzyme, SIRT1. Recent experimental evidence suggests that there is crosstalk between these two important pathways; however, the mechanisms underpinning their interaction(s) remains poorly understood. In this review, we propose using computational modelling in tandem with experimentation to delineate the mechanism(s). We briefly discuss the main modelling frameworks that could be used to disentangle this relationship and present a reduced reaction pathway that could be modelled. We conclude by outlining the limitations of computational modelling and by discussing opportunities for future progress in this area.
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http://dx.doi.org/10.3390/metabo5020232 | DOI Listing |
Sci Rep
January 2025
Department of Mechanical Engineering, College of Engineering and Computer Sciences, Jazan University, P.O Box 45124, Jazan, Saudi Arabia.
Fluid flow across a Riga Plate is a specialized phenomenon studied in boundary layer flow and magnetohydrodynamic (MHD) applications. The Riga Plate is a magnetized surface used to manipulate boundary layer characteristics and control fluid flow properties. Understanding the behavior of fluid flow over a Riga Plate is critical in many applications, including aerodynamics, industrial, and heat transfer operations.
View Article and Find Full Text PDFBull Math Biol
January 2025
CFisUC, Department of Physics, University of Coimbra, Rua Larga, 3004-516, Coimbra, Portugal.
Hereditary diffuse gastric cancer is characterized by an increased risk of diffuse gastric cancer and lobular breast cancer, and is caused by pathogenic germline variants of E-cadherin and -E-catenin, which are key regulators of cell-cell adhesion. However, how the loss of cell-cell adhesion promotes cell dissemination remains to be fully understood. Therefore, a three-dimensional computer model was developed to describe the initial steps of diffuse gastric cancer development.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Computer Engineering, Faculty of Engineering, Kasetsart University, Bangkok, Thailand.
Active transportation, such as cycling, improves mobility and general health. However, statistics reveal that in low- and middle-income countries, male and female cycling participation rates differ significantly. Existing literature highlights that women's willingness to use bicycles is significantly influenced by their perception of security.
View Article and Find Full Text PDFCurr Pharm Des
January 2025
Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Erciyes University, Kayseri 38039, Turkey.
Background: Psychosis, marked by detachment from reality, includes symptoms like hallucinations and delusions. Traditional herbal remedies like kratom are gaining attention for psychiatric conditions. This was aimed at comprehending the molecular mechanisms of Kratom's antipsychotic effects utilizing a multi-modal computational approach.
View Article and Find Full Text PDFJ Phys Chem A
January 2025
Computer Modelling Group, 3710 33 St NW, Calgary, Alberta T2L 2M1, Canada.
Coarse-grained molecular dynamics simulation is widely accepted for assessment of a large complex biological system, but it may also lead to a misleading conclusion. The challenge is to simulate protein structural dynamics (such as folding-unfolding behavior) due to the lack of a necessary backbone flexibility. This study developed a standard coarse-grained model directly from the protein atomic structure and amino acid coarse-grained FF (such as MARTINI FF v2.
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