针对SNX10作为炎症性肠道疾病的有希望的治疗方法,在传统中医中对活性化合物的计算机辅助查
Yongpan An1,2, Bowen Zhang3, Yuwei Ye4
1Department of Urology, Xi'an People's Hospital (Xi'an Fourth Hospital), School of Life Sciences and Medicine, Northwest University, Xi'an, China.
Basic & clinical pharmacology & toxicology
|August 28, 2025
概括
传统中医药的化合物对治疗炎症性肠道疾病 (IBD) 是有希望的. 在临床前模型中,alpha-hederin有效地向SNX10,减少炎症并促进肠道愈合.
科学领域:
- 药理学
- 胃肠病学
- 计算化学
背景情况:
- 炎症性肠道疾病 (IBD) 是慢性胃肠道疾病,其治疗需求尚未得到满足.
- SNX10被认为是IBD的潜在治疗点.
- 传统中医药 (TCM) 化合物为药物发现提供了安全有效的来源.
研究的目的:
- 确定针对SNX10治疗IBD的TCM化合物.
- 评估已识别的TCM化合物的结合亲和力和疗效.
主要方法:
- 使用了分子对接,分子动力学 (MD) 和MMGBSA计算.
- 使用表面等离子体共振 (SPR) 来确认直接结合.
- 在活体中分析了RNA测序的作用机制.
主要成果:
- 阿尔法海德林对SNX10的结合亲和力最强 (-50. 19kJ/ mol).
- 在小鼠中,阿尔法海德林显著缓解了DSS诱导的IBD.
- SPR证实了直接的α-海德林-SNX10相互作用 (Kd=3. 02μM).
- 通过RNA测定,阿尔法-海德林可降低炎症并促进肠道细胞的增殖.
结论:
- 阿尔法-海德林是针对SNX10的IBD治疗的有希望的TCM候选药物.
- SNX10已被验证为IBD的治疗点.
- 这项研究为基于TCM的IBD药物发现提供了框架.
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