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<p>Depression disrupts key neurotransmitters like dopamine, serotonin, and norepinephrine causing cognitive and physical disturbances, posing challenges for effective management and treatment. The <i>Nidus vespae</i> is a newly recognized natural substance that shows promise in addressing mental health disorders. The current study aims to identify potential targets for this natural product in the treatment of depression. Bioactive compounds of <i>Nidus vespae</i> were retrieved from peer-reviewed articles. These compounds were then assessed for their druglikeness and <i>in silico</i> toxicity. For these screened compounds, targets were then retrieved to construct the network, perform gene enrichment analysis and phylogeny construction. With therapeutic gene targets, molecular docking studies were performed to predict their modulating activity in depression. The <i>in silico</i> study predicted potential therapeutic targets for bioactive compounds of <i>N. vespae</i>, including MAOA, MAOB, AKT1 and ESR1. These targets showed similarities in lower animals compared to humans. They modulated several disease pathways mainly dopaminergic synapse, neuroactive ligand receptor interaction, sphingolipid signaling pathway, PI3k-Akt and phospholipase D signaling pathway. Finally, the docking study revealed that Isorhamnetin and Pinocembrin had the lowest binding energy with MAOA (−9.9&#xa0;kcal/mol and −9.7&#xa0;kcal/mol), respectively, which was much less than their respective therapeutic compounds. The findings suggest that <i>Nidus vespae</i> may have the potential to modulate the diseased proteins and pathways to bring the condition of depression back to normal. Further studies are required to explore the potential of <i>N. vespae</i> in the treatment of depression with in vitro and in vivo data.</p>

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Unveiling New Avenues in Depression Therapy: In Silico Analysis of Nidus vespae’s Therapeutic Effects

  • 期刊论文

  • 发表日期：

    2025年2月7日

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  • Pramod Nikam,
  • Sunil Kumar Kadiri,
  • Vishnu A. Kangralkar,
  • Omkar R. Mali,
  • N. M. Raghavendra

摘要

Depression disrupts key neurotransmitters like dopamine, serotonin, and norepinephrine causing cognitive and physical disturbances, posing challenges for effective management and treatment. The Nidus vespae is a newly recognized natural substance that shows promise in addressing mental health disorders. The current study aims to identify potential targets for this natural product in the treatment of depression. Bioactive compounds of Nidus vespae were retrieved from peer-reviewed articles. These compounds were then assessed for their druglikeness and in silico toxicity. For these screened compounds, targets were then retrieved to construct the network, perform gene enrichment analysis and phylogeny construction. With therapeutic gene targets, molecular docking studies were performed to predict their modulating activity in depression. The in silico study predicted potential therapeutic targets for bioactive compounds of N. vespae, including MAOA, MAOB, AKT1 and ESR1. These targets showed similarities in lower animals compared to humans. They modulated several disease pathways mainly dopaminergic synapse, neuroactive ligand receptor interaction, sphingolipid signaling pathway, PI3k-Akt and phospholipase D signaling pathway. Finally, the docking study revealed that Isorhamnetin and Pinocembrin had the lowest binding energy with MAOA (−9.9 kcal/mol and −9.7 kcal/mol), respectively, which was much less than their respective therapeutic compounds. The findings suggest that Nidus vespae may have the potential to modulate the diseased proteins and pathways to bring the condition of depression back to normal. Further studies are required to explore the potential of N. vespae in the treatment of depression with in vitro and in vivo data.