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<p>Skin melanoma remains a major global health concern, necessitating novel therapeutic strategies. Epigallocatechin gallate (EGCG), a predominant polyphenol in green tea, possesses potent antioxidant and anti-inflammatory properties that may suppress melanoma progression. Camptothecin (CPT), a topoisomerase I inhibitor, disrupts DNA replication in cancer cells, demonstrating promise in targeted melanoma therapy. This study employs a comprehensive integrative approach that combines network pharmacology (NP), molecular docking, molecular dynamics (MD) simulations, and in vitro experiments to investigate the potential synergistic anti-melanoma effects of EGCG and CPT. Network pharmacology analysis revealed a complex interaction network comprising 138 nodes and 145 edges, identifying key targets involved in melanoma pathophysiology. KEGG pathway enrichment analysis revealed significant involvement of the PI3K‒Akt signaling pathway in melanoma modulation. Molecular docking studies demonstrated strong binding affinities of camptothecin with EGFR (PDB: 3LZB), with binding energies ranging from −&#xa0;8.6 to −&#xa0;10.1&#xa0;kcal/mol. Molecular dynamics simulations further confirmed the stability of these interactions, with minimal fluctuations observed. Experimental validation via the SRB assay in B16-F10 melanoma cells revealed potent inhibition of cell viability, particularly when EGCG and camptothecin were used in combination, indicating a potential synergistic effect<b>.</b> The observed synergism between EGCG and camptothecin suggests a multitargeted therapeutic approach, leveraging EGCG’s antioxidant and anti-inflammatory effects alongside camptothecin’s ability to inhibit DNA replication to enhance melanoma suppression<b>.</b> This integrative study highlights the promise of combination therapy using natural and chemotherapeutic agents<b>,</b> paving the way for the development of effective, targeted anticancer treatments for skin melanoma.</p>

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Harnessing the synergistic potential of EGCG and camptothecin against skin melanoma: a computational and experimental approach

  • 期刊论文

  • 发表日期：

    2025年7月20日

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  • Ansari Vikhar Danish Ahmad,
  • Qazi Yasar,
  • Syed Ayaz Ali,
  • Subur W. Khan,
  • Mohd Mukhtar Khan

摘要

Skin melanoma remains a major global health concern, necessitating novel therapeutic strategies. Epigallocatechin gallate (EGCG), a predominant polyphenol in green tea, possesses potent antioxidant and anti-inflammatory properties that may suppress melanoma progression. Camptothecin (CPT), a topoisomerase I inhibitor, disrupts DNA replication in cancer cells, demonstrating promise in targeted melanoma therapy. This study employs a comprehensive integrative approach that combines network pharmacology (NP), molecular docking, molecular dynamics (MD) simulations, and in vitro experiments to investigate the potential synergistic anti-melanoma effects of EGCG and CPT. Network pharmacology analysis revealed a complex interaction network comprising 138 nodes and 145 edges, identifying key targets involved in melanoma pathophysiology. KEGG pathway enrichment analysis revealed significant involvement of the PI3K‒Akt signaling pathway in melanoma modulation. Molecular docking studies demonstrated strong binding affinities of camptothecin with EGFR (PDB: 3LZB), with binding energies ranging from − 8.6 to − 10.1 kcal/mol. Molecular dynamics simulations further confirmed the stability of these interactions, with minimal fluctuations observed. Experimental validation via the SRB assay in B16-F10 melanoma cells revealed potent inhibition of cell viability, particularly when EGCG and camptothecin were used in combination, indicating a potential synergistic effect. The observed synergism between EGCG and camptothecin suggests a multitargeted therapeutic approach, leveraging EGCG’s antioxidant and anti-inflammatory effects alongside camptothecin’s ability to inhibit DNA replication to enhance melanoma suppression. This integrative study highlights the promise of combination therapy using natural and chemotherapeutic agents, paving the way for the development of effective, targeted anticancer treatments for skin melanoma.