Topological and system-level protein interaction network (PIN) analyses to deduce molecular mechanism of curcumin.

Scientific Reports
Anupam DhasmanaSubhash C Chauhan

Abstract

Curcumin is an important bioactive component of turmeric and also one of the important natural products, which has been investigated extensively. The precise mode of action of curcumin and its impact on system level protein networks are still not well studied. To identify the curcumin governed regulatory action on protein interaction network (PIN), an interectome was created based on 788 key proteins, extracted from PubMed literatures, and constructed by using STRING and Cytoscape programs. The PIN rewired by curcumin was a scale-free, extremely linked biological system. MCODE plug-in was used for sub-modulization analysis, wherein we identified 25 modules; ClueGo plug-in was used for the pathway's enrichment analysis, wherein 37 enriched signalling pathways were obtained. Most of them were associated with human diseases groups, particularly carcinogenesis, inflammation, and infectious diseases. Finally, the analysis of topological characteristic like bottleneck, degree, GO term/pathways analysis, bio-kinetics simulation, molecular docking, and dynamics studies were performed for the selection of key regulatory proteins of curcumin-rewired PIN. The current findings deduce a precise molecular mechanism that curcumin might exert ...Continue Reading

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Citations

Aug 29, 2020·Cells·Neeraj ChauhanMurali M Yallapu
Dec 17, 2020·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Mohammed SikanderMeena Jaggi

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Software Mentioned

Cytoscape Network Analyzer
MCODE
ClueGO
Cell Designer
PESCADOR
gromos53a6
Cytoscape
Cytohubba
GROMACS
STRING

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