Topological and system-level protein interaction network (PIN) analyses to deduce molecular mechanism of curcumin.
Computational Biology
/ methods
Curcumin
/ chemistry
Dose-Response Relationship, Drug
Kinetics
Molecular Docking Simulation
Molecular Dynamics Simulation
Molecular Sequence Annotation
Protein Binding
/ drug effects
Protein Interaction Mapping
/ methods
Protein Interaction Maps
Signal Transduction
/ drug effects
Journal
Scientific reports
ISSN: 2045-2322
Titre abrégé: Sci Rep
Pays: England
ID NLM: 101563288
Informations de publication
Date de publication:
21 07 2020
21 07 2020
Historique:
received:
24
09
2019
accepted:
12
06
2020
entrez:
23
7
2020
pubmed:
23
7
2020
medline:
18
12
2020
Statut:
epublish
Résumé
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 in the system. This comprehensive in-silico study will help to understand how curcumin induces its anti-cancerous, anti-inflammatory, and anti-microbial effects in the human body.
Identifiants
pubmed: 32694520
doi: 10.1038/s41598-020-69011-0
pii: 10.1038/s41598-020-69011-0
pmc: PMC7374742
doi:
Substances chimiques
Curcumin
IT942ZTH98
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Research Support, Non-U.S. Gov't
Langues
eng
Sous-ensembles de citation
IM
Pagination
12045Subventions
Organisme : NCI NIH HHS
ID : R01 CA204552
Pays : United States
Organisme : NCI NIH HHS
ID : R01 CA206069
Pays : United States
Organisme : NCI NIH HHS
ID : R01 CA210192
Pays : United States
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