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针对5-LOX和COX-2通路的抗炎植物化学物质的计算分析:PASS预测,分子对接和ADMET分析

Mst Shahnaj Parvin1, Md Sayedul Islam Shakib1, Md Sanowar Hossain2

  • 1Department of Pharmacy, University of Rajshahi, Rajshahi 6205, Bangladesh.

Chemico-biological interactions
|June 23, 2025
PubMed
概括

这项研究通过计算识别出基因斯坦和液性基因因因作为有前途的抗炎药物,向5-LOX和COX-2. 由于有利的ADMET特性和稳定的分子相互作用,Cianidanol成为主要候选者.

关键词:
5-LOX/COX-2 的抑制作用.接收人 接收人抗炎植物化学物质 抗炎植物化学物质在MM-PBSASA中使用.分子对接是分子对接.分子动力学分子动力学

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