DOI: 10.1101/512277Jan 4, 2019Paper

Integrative Computational Framework for Understanding Metabolic Modulation in Leishmania

BioRxiv : the Preprint Server for Biology
Nutan Chauhan, Shailza Singh


The integration of computational and mathematical approaches is used to provide a key insight into the biological systems. Here, we seek to find detailed and more robust information on Leishmanial metabolic network by performing mathematical characterization in terms of Forman/Forman-Ricci curvature measures combined with flux balance analysis (FBA). The model prototype developed largely depends on its structure and topological components. The correlation of curvature measures with various network statistical properties revealed the structural-functional framework. The analyses helped us to identify the importance of several nodes and detect sub-networks. Our results revealed several key high curvature nodes (metabolites) belonging to common yet crucial metabolic, thus, maintaining the integrity of the network which signifies its robustness. Further analysis revealed the presence of some of these metabolites in redox metabolism of the parasite. MGO, an important node, has highly cytotoxic and mutagenic nature that can irreversibly modify DNA, proteins and enzymes, making them nonfunctional, leading to the formation of AGEs and MGO?-. Being a component in the glyoxalase pathway, we further attempted to study the outcome of the d...Continue Reading

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