Abstract：
The present investigation delved into the pharmacological mechanisms underlying the management of depression through Flavan-3-ols and Aromatic Resins, employing in silico and in vivo methodologies. Network pharmacology was utilized to identify targets associated with the antidepressant activity of Flavan-3-ols and Aromatic Resins. Protein-protein interaction and KEGG analyses were conducted to enrich and explore key pathways. Molecular docking and simulation studies were executed to assess the targets. The antidepressant effects were studied using the Forced Swim Test and Tail Suspension Test on both unstressed mice and those subjected to the chronic unpredictable mild stress (CUMS) paradigm. The Compound-Target network analysis revealed a substantial impact of the components on numerous targets, with 332 nodes and 491 edges. Protein-protein interaction analysis indicated significant interactions with targets implicated in depression. KEGG analysis highlighted major pathways, including neuroactive ligand-receptor interaction, dopaminergic synapse, and long-term depression. Docking studies on EGCG demonstrated binding energies of -7.2 kcal/mol for serotonin 1 A (5-HT1A), -7.9 kcal/mol for D2, and - 9.6 kcal/mol for MOA-A. Molecular dynamics simulation indicated minute fluctuation, hence suggesting stable complexes formed between small molecules and proteins. The combination of Flavan-3-ols and Aromatic Resins significantly increased mobility time (p < 0.05) in the Forced Swim Test and Tail Suspension Test, while significantly decreasing immobility time and time freezing (p < 0.05) in both unstressed and CUMS mice. This study demonstrated the antidepressant characteristics of Flavan-3-ols and Aromatic Resins, underscoring the need for further research to develop a novel antidepressant medication.
摘要：
本研究通过黄烷-3-醇和芳香树脂探讨了抑郁症治疗的药理机制，采用计算机模拟和体内方法。网络药理学用于鉴定与黄烷-3-醇和芳香树脂的抗抑郁活性相关的靶标。进行蛋白质-蛋白质相互作用和KEGG分析以丰富和探索关键途径。进行分子对接和模拟研究以评估靶标。使用强迫游泳测试和尾巴悬吊测试对无压力小鼠和遭受慢性不可预测的轻度压力（CUMS）范例的小鼠进行了抗抑郁作用研究。复合目标网络分析揭示了成分对许多目标的实质性影响，具有332个节点和491条边。蛋白质-蛋白质相互作用分析表明与抑郁症相关的靶标存在显着的相互作用。KEGG分析强调了主要途径，包括神经活性配体-受体相互作用，多巴胺能突触，和长期抑郁症。对EGCG的对接研究表明，5-羟色胺1A（5-HT1A）的结合能为-7.2kcal/mol，D2为-7.9kcal/mol，MOA为-9.6kcal/mol。分子动力学模拟显示微小波动，因此表明小分子和蛋白质之间形成稳定的复合物。黄烷-3-醇和芳香树脂的组合在强制游泳试验和尾部悬浮试验中显著增加了流动时间(p<0.05)，同时显着降低无应激和CUMS小鼠的不动时间和冷冻时间（p<0.05）。这项研究证明了黄烷-3-醇和芳香树脂的抗抑郁特性，强调需要进一步研究以开发一种新型抗抑郁药物。
