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<p>Hyperlipidemia is a major risk factor contributing to the increasing prevalence of cardiovascular diseases such as myocardial infarction and stroke. This study investigated the potential anti-hyperlipidemic activity of bioactive compounds derived from six medicinal mushrooms: <i>Pleurotus floridanus</i>, <i>Pleurotus ostreatus</i>, <i>Pleurotus pulmonarius</i>, <i>Pleurotus sajor-caju</i>, <i>Ganoderma lucidum</i>, and <i>Lignosus rhinoceros</i>. Sequential extraction using 80% ethanol: 20% water followed by 100% water was performed to obtain a broad spectrum of phytochemicals. Chemical profiling by UPLC-QTOF/MS led to the tentative identification of 57 compounds, which were further analyzed using a network pharmacology approach. A total of 3,301 hyperlipidemia-related targets were retrieved from GeneCards, while 686 compound-associated targets were predicted via SwissTargetPrediction. Integration of these datasets and protein-protein interaction (PPI) analysis identified 260 overlapping targets. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses highlighted the lipid and atherosclerosis pathway (hsa05417) as a key mechanism, with tumor necrosis factor-alpha (TNF-α) emerging as a central hub protein. Molecular docking analysis revealed strong binding affinities between TNF-α and two secondary metabolites, namely flavanonol and kushenol U, identified in the extract of <i>Ganoderma lucidum</i> (Lingzhi mushroom). Subsequent molecular dynamics simulations, along with principal component analysis (PCA), free energy landscape (FEL), dynamic cross-correlation matrix (DCCM), and molecular mechanics/poisson-boltzmann surface area (MM/PBSA) analyses, confirmed the stability and favorable interaction of the TNF-α-kushenol U complex. Furthermore, toxicity prediction revealed that flavanonol exhibited the most favorable safety profile, with low acute toxicity and absence of carcinogenic, mutagenic, cytotoxic, immunotoxic, and hepatotoxic effects, while kushenol U showed acceptable toxicity characteristics except for possible immunotoxicity. These findings suggest that mushroom-derived bioactive compounds, particularly the annotated kushenol U, may offer therapeutic potential for hyperlipidemia management.</p>

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Exploring the molecular mechanisms of mushroom-mediated antihyperlipidemic effects using advanced profiling and computational approaches

  • 期刊论文

  • 发表日期：

    2026年6月17日

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  • Nor Arifah Mat Nor,
  • Roney Miah,
  • Md. Nazim Uddin,
  • Hazrulrizawati Abd Hamid,
  • Jianbo Xiao,
  • Aizi Nor Mazila Ramli

摘要

Hyperlipidemia is a major risk factor contributing to the increasing prevalence of cardiovascular diseases such as myocardial infarction and stroke. This study investigated the potential anti-hyperlipidemic activity of bioactive compounds derived from six medicinal mushrooms: Pleurotus floridanus, Pleurotus ostreatus, Pleurotus pulmonarius, Pleurotus sajor-caju, Ganoderma lucidum, and Lignosus rhinoceros. Sequential extraction using 80% ethanol: 20% water followed by 100% water was performed to obtain a broad spectrum of phytochemicals. Chemical profiling by UPLC-QTOF/MS led to the tentative identification of 57 compounds, which were further analyzed using a network pharmacology approach. A total of 3,301 hyperlipidemia-related targets were retrieved from GeneCards, while 686 compound-associated targets were predicted via SwissTargetPrediction. Integration of these datasets and protein-protein interaction (PPI) analysis identified 260 overlapping targets. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses highlighted the lipid and atherosclerosis pathway (hsa05417) as a key mechanism, with tumor necrosis factor-alpha (TNF-α) emerging as a central hub protein. Molecular docking analysis revealed strong binding affinities between TNF-α and two secondary metabolites, namely flavanonol and kushenol U, identified in the extract of Ganoderma lucidum (Lingzhi mushroom). Subsequent molecular dynamics simulations, along with principal component analysis (PCA), free energy landscape (FEL), dynamic cross-correlation matrix (DCCM), and molecular mechanics/poisson-boltzmann surface area (MM/PBSA) analyses, confirmed the stability and favorable interaction of the TNF-α-kushenol U complex. Furthermore, toxicity prediction revealed that flavanonol exhibited the most favorable safety profile, with low acute toxicity and absence of carcinogenic, mutagenic, cytotoxic, immunotoxic, and hepatotoxic effects, while kushenol U showed acceptable toxicity characteristics except for possible immunotoxicity. These findings suggest that mushroom-derived bioactive compounds, particularly the annotated kushenol U, may offer therapeutic potential for hyperlipidemia management.