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Network pharmacology and pharmacokinetics strategy decoded the molecular basis of Phyto-neurotherapeutic potential of Zingiber officinale
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  • Pavan Gollapalli,
  • Aditya Rao SJ,
  • Manjunatha H,
  • Praveenkumar Shetty,
  • Suchetha kumari N,
  • Tamizh Selvan Gnanasekaran
Pavan Gollapalli
Nitte University K S Hegde Medical Academy

Corresponding Author:[email protected]

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Aditya Rao SJ
CFTRI
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Manjunatha H
Bangalore University
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Praveenkumar Shetty
Nitte University K S Hegde Medical Academy
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Suchetha kumari N
Nitte University K S Hegde Medical Academy
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Tamizh Selvan Gnanasekaran
Nitte University K S Hegde Medical Academy
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Abstract

Background: The bioactive constituents from Zingiber officinale have shown a positive effect against neurodegenerative diseases like alzheimer’s disease (AD) that manifests as progressive memory loss and cognitive impairment. By coupling enormous available photochemical data and advanced computational technologies, the possible molecular mechanism of action of these bioactive compounds was deciphered by evaluating phytochemicals, target fishing, and network biological analysis. Experimental Methods: As a result, 175 bioactive compounds and 264 human target proteins were identified. The gene ontology and Kyoto Encyclopaedia of Genes and Genomes pathway enrichment analysis and molecular docking were used to predict the basis of vital bioactive compounds and biomolecular mechanisms involved in the treatment of AD. Results: The systematic topological analysis of the bioactive compound-target protein network resulted in identifying nine essential bioactive compounds (10-Gingerdione, 1-dehydro-[8]-gingerdione, perillene, farnesol, isovanillin, zingiberone, gingerdione, gingerenon-B, isoeugenol-methyl-ether), which are found active against the top 10 target human proteins (APP, AKT1, CHRM1, PRKCD, TTR, SRC, S1PR3, MAPK3, EP300 and RELA). Amongst selected bioactive compounds, 10-Gingerdione and 1-dehydro-[8]-gingerdione exhibited significant anti-neurological property against AD targeting amyloid precursor protein with a binding affinity of -6.0 and -5.6, respectively. Conclusion: This study suggests that 10-Gingerdione and 1-dehydro-[8]-gingerdione strongly modulates anti-neurological activity and are associated with pathological features like amyloid-β plaques and hyperphosphorylated tau protein are found to be critically regulated by these two target proteins. This comprehensive analysis provides a clue for further investigation of these natural compound’s inhibitory activity in drug discovery for AD treatment.