Integrative Network Pharmacologyand In vitro Evaluation of Dictyotabartayresiana Bioactives as PotentialTherapeutics for Oral Cancer
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Abstract
Dictyota bartayresiana is a brown seaweed and known to contain potent diterpenoids that are proven to possess
anti-cancer activity. The nutritional composition and cytotoxic effect of water, ethanol and methanolic extracts of
D. bartayresiana on KB cells was evaluated. Based on Lipinski 0 violation rule, 2 bioactives of D. bartayresiana
were selected and screened for gene targets. Meanwhile oral cancer (OC) related gene targets were also
determined. On combining, 63 gene targets were identified and subjected to protein-protein interaction network
analysis, and 5 nodes referred to as hub genes with the highest degree were selected, that is, Tumor Protein 53
(TP53), CTNNB1, epidermal growth factor receptor (EGFR), AKT1, and MYC. Top 3 hub genes were further
evaluated for interactions with bioactive compounds using Molecular docking studies. Network pharmacology and
molecular docking analysis show TP53, CNNTB1, and EGFR as key targets involved in initiation, progression
and metastasis of OC.
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