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<p>The increasing global incidence of cancer has intensified the search for anticancer compounds that are selectively toxic to cancer cells while sparing normal tissues. Insect-derived extracts have long been used in traditional medicine for various therapeutic benefits. This study focuses on the in vitro anticancer potential and mechanistic action of a bioactive fraction, MBF1, derived from the ant species <i>Myrmicaria brunnea</i> Saunders, 1842, against breast cancer MCF-7 cells, using proteomic profiling and molecular docking approaches. Methanol extracts of <i>M. brunnea</i> were partially purified by thin layer chromatography, yielding the fraction MBF1, which was further characterized by GC–MS. In vitro cytotoxicity was assessed through MTT and LDH assays, DNA fragmentation analysis, and Annexin V/PI flow cytometry. Proteomic profiling using LC–MS/MS was conducted to identify differentially expressed proteins, followed by STRING network analysis and Ingenuity Pathway Analysis (IPA). Western blotting validated key protein changes. Finally, molecular docking was performed to evaluate the binding affinity of major MBF1 compounds with the HER2 receptor. MBF1 showed selective cytotoxicity towards MCF-7 cells while being non-toxic to normal HEK-293 cells, inducing apoptosis at 50&#xa0;µg/mL. GC–MS analysis identified major compounds including Methyl stearate, Hexadecanoic acid methyl ester, and 2,4-Di-tert-butylphenol. Proteomic analysis revealed dysregulation of proteins associated with eukaryotic translation, mRNA processing, and chaperone activity. IPA predicted inhibition of the eukaryotic translation pathway and upstream regulator MYC. Western blotting confirmed downregulation of RPL36A and EIF4A3. Docking studies showed favorable binding of key MBF1 compounds to the HER2 receptor, supporting their potential role in HER2-targeted breast cancer therapy. These findings highlight the anticancer potential of MBF1, warranting further in vivo investigation, purification of active constituents, and exploration of their combinatory use with chemotherapeutic agents for enhanced efficacy and reduced side effects.</p>

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Pathway analysis by proteomics and molecular docking studies of a bioactive fraction, MBF1, from Myrmicaria brunnea Saunders on the breast cancer MCF-7 cells

  • 期刊论文

  • 发表日期：

    2025年7月16日

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  • Suman Jangir,
  • Varalakshmi Kilingar Nadumane

摘要

The increasing global incidence of cancer has intensified the search for anticancer compounds that are selectively toxic to cancer cells while sparing normal tissues. Insect-derived extracts have long been used in traditional medicine for various therapeutic benefits. This study focuses on the in vitro anticancer potential and mechanistic action of a bioactive fraction, MBF1, derived from the ant species Myrmicaria brunnea Saunders, 1842, against breast cancer MCF-7 cells, using proteomic profiling and molecular docking approaches. Methanol extracts of M. brunnea were partially purified by thin layer chromatography, yielding the fraction MBF1, which was further characterized by GC–MS. In vitro cytotoxicity was assessed through MTT and LDH assays, DNA fragmentation analysis, and Annexin V/PI flow cytometry. Proteomic profiling using LC–MS/MS was conducted to identify differentially expressed proteins, followed by STRING network analysis and Ingenuity Pathway Analysis (IPA). Western blotting validated key protein changes. Finally, molecular docking was performed to evaluate the binding affinity of major MBF1 compounds with the HER2 receptor. MBF1 showed selective cytotoxicity towards MCF-7 cells while being non-toxic to normal HEK-293 cells, inducing apoptosis at 50 µg/mL. GC–MS analysis identified major compounds including Methyl stearate, Hexadecanoic acid methyl ester, and 2,4-Di-tert-butylphenol. Proteomic analysis revealed dysregulation of proteins associated with eukaryotic translation, mRNA processing, and chaperone activity. IPA predicted inhibition of the eukaryotic translation pathway and upstream regulator MYC. Western blotting confirmed downregulation of RPL36A and EIF4A3. Docking studies showed favorable binding of key MBF1 compounds to the HER2 receptor, supporting their potential role in HER2-targeted breast cancer therapy. These findings highlight the anticancer potential of MBF1, warranting further in vivo investigation, purification of active constituents, and exploration of their combinatory use with chemotherapeutic agents for enhanced efficacy and reduced side effects.