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目的:对广藿香进行网络药理学研究,探索其治疗肠易激综合征的分子作用机制。方法:采用分子对接方法对广藿香所含的94种化合物与10个肠易激综合征相关靶标间的相互作用进行分析。结果:广藿香所含化合物具有较好的类药性;网络分析揭示了广藿香中黄酮类化合物通过调节ADRB3、CHRM1、CCKAR、HTR4、TACR1等靶蛋白从而产生治疗肠易激综合征的作用。结论:网络药理学的研究方法有助于搜寻广藿香中可能的活性分子并阐明其作用机制。
OBJECTIVE: To study the network pharmacology of patchouli and to explore its molecular mechanism of action in the treatment of irritable bowel syndrome. Methods: The molecular docking method was used to analyze the interaction between 94 compounds contained in patchouli and 10 targets related to irritable bowel syndrome. Results: The compounds contained in patchouli showed good drug-like properties. The network analysis revealed that flavonoids in patchouli play a role in the treatment of irritable bowel syndrome by regulating the target proteins such as ADRB3, CHRM1, CCKAR, HTR4 and TACR1 . Conclusion: The research methods of network pharmacology can help to search possible active molecules in Pogostemon cablin and elucidate its mechanism of action.