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Abstract <p>This study aims to identify the molecular mechanism of <i>Cucumis melo</i> (CM) in regulating endoplasmic reticulum stress (ER stress) associated with diabetic nephropathy (DN) by using network pharmacology and bioinformatic studies. The targets of CM and target of ER stress and DN were obtained from various online databases. Top targets for CM regulating ER stress in DN were identified using PPI network. KEGG and GO analysis were used to examine the hub genes from a macro viewpoint. The present study identified 41 potential active phytochemicals, 212 potential therapeutic targets and 15 hub genes (targets). The primary targets which were closely associated with the pathways that are primarily involved in DN and ER stress were AKT1, EGFR and SRC. Furthermore, top 2 phytochemicals (eriodictyol and curcumin) and top 3 targets (AKT1, EGFR and SRC) were selected based on their degree score for molecular docking studies. It was observed that eriodictyol and curcumin had significant binding affinity potential against these targets (− 9.8&#xa0;kcal/mol and − 9.5&#xa0;kcal/mol against AKT-1, − 8.2&#xa0;kcal/mol and − 7.6&#xa0;kcal/mol against EGFR and − 8.8&#xa0;kcal/mol and − 8.8&#xa0;kcal/mol against SRC, respectively), along with the good binding interactions with key residues. Further, validation of docking results in molecular dynamic simulations was elucidated that eriodictyol and curcumin were had significant stability and binding ability against these targets (AKT1, EGFR and SRC) as compared to standard drug, but need to be tested experimentally. This research reveals the potential targets and pathways which can be targeted in DN treatment by regulating ER stress using CM.</p> Graphical abstract <p></p>

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Network pharmacology and in silico analysis of Cucumis melo phytochemicals targeting ER stress in diabetic nephropathy

  • 期刊论文

  • 发表日期：

    2025年9月4日

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  • Mohammed Nazish Quasmi,
  • Jiten Singh,
  • Sanjay Yadav,
  • Dinesh Kumar,
  • Pawan Gupta,
  • Ashok Jangra

摘要

Abstract

This study aims to identify the molecular mechanism of Cucumis melo (CM) in regulating endoplasmic reticulum stress (ER stress) associated with diabetic nephropathy (DN) by using network pharmacology and bioinformatic studies. The targets of CM and target of ER stress and DN were obtained from various online databases. Top targets for CM regulating ER stress in DN were identified using PPI network. KEGG and GO analysis were used to examine the hub genes from a macro viewpoint. The present study identified 41 potential active phytochemicals, 212 potential therapeutic targets and 15 hub genes (targets). The primary targets which were closely associated with the pathways that are primarily involved in DN and ER stress were AKT1, EGFR and SRC. Furthermore, top 2 phytochemicals (eriodictyol and curcumin) and top 3 targets (AKT1, EGFR and SRC) were selected based on their degree score for molecular docking studies. It was observed that eriodictyol and curcumin had significant binding affinity potential against these targets (− 9.8 kcal/mol and − 9.5 kcal/mol against AKT-1, − 8.2 kcal/mol and − 7.6 kcal/mol against EGFR and − 8.8 kcal/mol and − 8.8 kcal/mol against SRC, respectively), along with the good binding interactions with key residues. Further, validation of docking results in molecular dynamic simulations was elucidated that eriodictyol and curcumin were had significant stability and binding ability against these targets (AKT1, EGFR and SRC) as compared to standard drug, but need to be tested experimentally. This research reveals the potential targets and pathways which can be targeted in DN treatment by regulating ER stress using CM.

Graphical abstract