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In silico and network pharmacology analysis of fucosterol: a potent anticancer bioactive compound against HCC

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Abstract

The Fucaceae family of marine brown algae includes Ascophyllum nodosum. Fucosterol (FSL) is a unique bioactive component that was identified through GC-MS analysis of the hydroalcoholic extract of A. nodosum. Fucosterol's mechanism of action towards hepatocellular cancer was clarified using network pharmacology and docking study techniques. The probable target gene of FSL has been predicted using the TargetNet and SwissTargetPred databases. GeneCards and the DisGNet database were used to check the targeted genes of FSL. By using the web programme Venny 2.1, the overlaps of FSL and HCC disease demonstrated that 18 genes (1.3%) were obtained as targeted genes Via the STRING database, a protein–protein interaction (PPI) network with 18 common target genes was constructed. With the aid of CytoNCA, hub genes were screened using the Cytoscape software, and the targets' hub genes were exported into the ShinyGo online tool for study of KEGG and gene ontology enrichment. Using the software AutoDock, a hub gene molecular docking study was performed. Ten genes, including AR, CYP19A1, ESR1, ESR2, TNF, PPARA, PPARG, HMGCR, SRC, and IGF1R, were obtained. The 10 targeted hubs docked with FSL successfully. The active components FSL of ASD, the FSL, are engaged in fatty liver disease, cancer pathways, and other signalling pathways, which could prove beneficial for the management of HCC.

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Acknowledgements

The author Kajal Singh gratefully to acknowledge to Department of pharmaceutical engineering and Technology, IIT, BHU, Department of Botany, MMV, BHU, and Galgotias University, Greater Noida, Uttar Pradesh for their immense support. Author Amit Kumar Singh acknowledge the MHRD, New Delhi for Funding support. Author Pradeep Kumar Highly thankful to University Grant Commission, New Delhi for providing Rajiv Gandhi National Fellowship.

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Authors and Affiliations

  1. Department of Biosciences, Galgotias University, Greater Noida, Uttar Pradesh, India

    Kajal Singh, Nancy Singh & Anuradha Singh

  2. Department of Botany, MMV, Banaras Hindu University, Varanasi, Uttar Pradesh, 221005, India

    Pradeep Kumar & Kavindra Nath Tiwari

  3. Department of Pharmaceutical Engineering & Technology, Indian Institute of Technology, Banaras Hindu University, Varanasi, UP, 221005, India

    Amit Kumar Singh & Sunil Kumar Mishra

  4. Department of Biotechnology, Parul Institute of Applied Science, Parul University, Vadodara, Gujarat, 391760, India

    Sakshi Singh

  5. Department of Bioscience and Biotechnology, Banasthali Vidhyapith, Tonk, Rajsthan, India

    Shreni Agrawal & Richa Das

  6. Department of Dravyaguna, IMS, Banaras Hindu University, Varanasi, Uttar Pradesh, 221005, India

    Bhuwal Ram

  7. School of Basic and Applied Science, Galgotias University, Gautam Buddha Nagar, Greater Noida, Uttar Pradesh, 203201, India

    Amit Kumar Tripathi

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Contributions

KS, PK, and AKS designed the concept of work, NS, SS, SA, and RD: Data analysis, interpretation of results, and manuscript preparation, SA, RD, SS, and NS: extract preparation and data interpretation, SKM and KNT, AKT, BR, and AS: designed the work and reviewed the manuscript.

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Correspondence to Sunil Kumar Mishra.

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Singh, K., Kumar, P., Singh, A.K. et al. In silico and network pharmacology analysis of fucosterol: a potent anticancer bioactive compound against HCC. Med Oncol 41, 130 (2024). https://doi.org/10.1007/s12032-024-02374-w

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