Guo Yuejie, Luo Ning, Kang Xueran
Department of Geriatrics, The First People's Hospital of Chenzhou, Chenzhou, China.
Department of Endocrinology, The First People's Hospital of Chenzhou, Chenzhou, China.
Front Neurol. 2022 Oct 21;13:977953. doi: 10.3389/fneur.2022.977953. eCollection 2022.
This study aims to analyze the efficacy and mechanism of action of the Shunaoxin pill in preventing cognitive impairment in diabetic patients using network pharmacology.
The main active compounds of the Shunaoxin pills and their action targets were identified the TCMSP and Batman-TCM databases. The GEO database was used to identify the genes in type 2 diabetic individuals associated with cognitive impairment. Subsequently, a common target protein-protein interaction (PPI) network was constructed using the STRING database, and targets associated with diabetes and cognitive impairment were screened by performing a topological analysis of the PPI network. The AutoDock Vina software was used for molecular docking to evaluate the reliability of the bioinformatic analysis predictions and validate the interactions between the active ingredients of the Shunaoxin pill and proteins associated with diabetes and cognitive impairment.
Based on the TCMSP and Batman-Tcm platform, 48 active ingredients of the Shunaoxin pill were identified, corresponding to 222 potential action targets. Further analysis revealed that 18 active components of the Shunaoxin pill might contribute to cognitive impairment in type 2 diabetic patients. Molecular docking simulations demonstrated that the active ingredients of the Shunaoxin pill (hexadecanoic acid, stigmasterol, beta-sitosterol, and angelicin) targeted four core proteins: OPRK1, GABRA5, GABRP, and SCN3B.
Active ingredients of the Shunaoxin pill may alleviate cognitive impairment in diabetic patients by targeting the proteins OPRK1, GABRA5, GABRP, and SCN3B.
本研究旨在运用网络药理学分析舒脑欣滴丸预防糖尿病患者认知功能障碍的疗效及作用机制。
通过中药系统药理学数据库与分析平台(TCMSP)和中药综合数据库(Batman-TCM)确定舒脑欣滴丸的主要活性成分及其作用靶点。利用基因表达综合数据库(GEO)确定2型糖尿病个体中与认知功能障碍相关的基因。随后,使用STRING数据库构建共同靶点蛋白质-蛋白质相互作用(PPI)网络,并通过对PPI网络进行拓扑分析筛选出与糖尿病和认知功能障碍相关的靶点。使用AutoDock Vina软件进行分子对接,以评估生物信息学分析预测的可靠性,并验证舒脑欣滴丸活性成分与糖尿病和认知功能障碍相关蛋白质之间的相互作用。
基于TCMSP和Batman-Tcm平台,确定了舒脑欣滴丸的48种活性成分,对应222个潜在作用靶点。进一步分析表明,舒脑欣滴丸的18种活性成分可能导致2型糖尿病患者的认知功能障碍。分子对接模拟表明,舒脑欣滴丸的活性成分(十六酸、豆甾醇、β-谷甾醇和白芷内酯)靶向四种核心蛋白:阿片受体κ1(OPRK1)、γ-氨基丁酸A型受体α5亚基(GABRA5)、γ-氨基丁酸A型受体ρ亚基(GABRP)和钠通道蛋白3B型(SCN3B)。
舒脑欣滴丸的活性成分可能通过靶向OPRK1、GABRA5、GABRP和SCN3B蛋白来减轻糖尿病患者的认知功能障碍。