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Multi-targeted effects of D-carvone against Non-Small Cell Lung Cancer (NSCLC): A network pharmacology-based study
Rasha Irshad1, Faiqah Batool1, Nafis Raj2
1Virology and Oncology Lab, Department of Biotechnology, Jamia Millia Islamia, New Delhi, India.
Abstract:
Non-small cell lung cancer (NSCLC) is a complex malignancy with a high degree of heterogeneity, representing approximately 85% of all lung cancer cases. The treatment landscape for NSCLC has been revolutionised by incorporating targeted and immunotherapies; however, novel therapeutic modalities are consistently needed to enhance the treatment outcomes. Indeed, alternative anti-cancer therapies involving natural products have drawn the attention of clinicians and scientists owing to their remarkable chemopreventive potential, often displaying minimal toxicity. D-carvone (CN) is one such natural product that has exhibited numerous promising therapeutic benefits, yet its efficacy against NSCLC remains enigmatic. In the present study, network pharmacological studies and molecular docking in conjunction with in-vitro validation were used to elucidate the underlying mechanism of action of CN comprehensively. Different databases revealed a total of 77 putative anti-NSCLC targets of CN. The identified core targets were utilised to construct a "Compound- Target- Disease" network by Cytoscape (v3.9.0). Further analysis identified 5 core/ hub targets of CN including JAK2, ERK1, ESR1, GSK3B and HSP90AA1. Molecular docking indicated a strong binding interaction of the compound with these core targets. Also, Gene Ontology and KEGG analysis validated the involvement of multiple biological processes. Additionally, CN significantly inhibited cell proliferation, clonogenicity, and wound healing potential while promoting apoptosis in a dose-dependent manner in H1299 and A549 cell lines as examined by flow cytometry, morphological assessment, and western blotting. In conclusion, this study delineates the therapeutic effects of CN on NSCLC, thus highlighting CN as a putative drug candidate for further analysis.
Insights
D-carvone (CN) shows potential as a novel non-small cell lung cancer (NSCLC) therapy. This study identified key targets and demonstrated CN
Area of Science:
- Oncology and Pharmacology
- Natural Product Chemistry
- Computational Biology
Background:
- Non-small cell lung cancer (NSCLC) is a heterogeneous malignancy, with existing targeted and immunotherapies requiring novel adjuncts.
- Natural products offer promising chemopreventive potential with minimal toxicity, necessitating investigation into agents like D-carvone (CN) for NSCLC treatment.
- The therapeutic efficacy of D-carvone (CN) against NSCLC remains largely unexplored.
Purpose of the Study:
- To elucidate the mechanism of action of D-carvone (CN) against non-small cell lung cancer (NSCLC) using network pharmacology and molecular docking.
- To identify core targets and biological pathways modulated by D-carvone (CN) in NSCLC.
- To validate the anti-cancer effects of D-carvone (CN) in vitro.
Main Methods:
- Network pharmacological analysis of D-carvone (CN) against NSCLC, identifying 77 putative targets.
- Construction of a "Compound-Target-Disease" network using Cytoscape to pinpoint 5 core targets (JAK2, ERK1, ESR1, GSK3B, HSP90AA1).
- In vitro validation including cell proliferation, clonogenicity, wound healing assays, apoptosis analysis (flow cytometry, western blotting), and molecular docking.
Main Results:
- Network pharmacology identified 77 potential anti-NSCLC targets for D-carvone (CN), with 5 core targets highlighted.
- Molecular docking confirmed strong binding interactions between D-carvone (CN) and the identified core targets.
- In vitro studies showed D-carvone (CN) significantly inhibited NSCLC cell proliferation, clonogenicity, and wound healing, while promoting apoptosis.
Conclusions:
- D-carvone (CN) exhibits significant therapeutic effects against non-small cell lung cancer (NSCLC) cell lines.
- The study delineates the anti-cancer mechanisms of D-carvone (CN), supporting its potential as a novel drug candidate.
- Further investigation into D-carvone (CN) for NSCLC treatment is warranted.
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