Petri Net modeling of thiamine diphosphate biosynthesis in Mycobacterium tuberculosis H37Rv
- PMID: 40822802
- PMCID: PMC12357739
- DOI: 10.6026/973206300211029
Petri Net modeling of thiamine diphosphate biosynthesis in Mycobacterium tuberculosis H37Rv
Abstract
Thiamine diphosphate (TPP) is essential cofactor in Mycobacterium tuberculosis H37Rv metabolism, making its biosynthesis pathway a key target for therapy. Therefore, it is of interest to describe a Petri net-based model of the TPP biosynthesis super-pathway, developed using curated MetaCyc data and simulated with Snoopy software. The model integrates three biosynthetic branches and maps key enzymes (ThiC, ThiD, ThiE, ThiF, ThiG, ThiS) along with their gene identifiers. The simulation of token flow revealed the pathway's dynamics, highlighting critical regulatory nodes. This computational approach provides insights into TPP biosynthesis and serves as a basis for drug design targeting tuberculosis.
Keywords: Mycobacterium tuberculosis; Petri nets; Thiamine biosynthesis; modelling; simulation.
© 2025 Biomedical Informatics.
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References
-
- Hardy S, Robillard P.N. Systems biology. . 2008;24:209. doi: 10.1093/bioinformatics/btm560. - DOI
-
- Koch I, et al. Modeling in Systems Biology: The Petri Net Approach. London: Springer; 2010. 74 pp.
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