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结合NCBI分类数据库和KEGG提供的恶性疟原虫3D7株相关蛋白质信号通路信息,筛选出8个处于信号通路关键位置的蛋白酶,分别与青蒿素进行分子对接研究.通过分析它们之间的结合模式,发现嘌呤核苷磷酸化酶(pfPNP)、肽脱甲酰基化酶(pfPDF)和核糖-5-磷酸异构酶(pfRpiA)等3种蛋白酶与青蒿素的抗疟作用有关,而青蒿素可能通过干预嘌呤代谢、嘧啶代谢、蛋氨酸代谢、乙醛酸和二羧酸代谢及磷酸戊糖途径产生抗疟效应.
Combining NCBI classification database and KEGG-related protein signal pathway information provided by Plasmodium falciparum 3D7 strain, 8 proteases at key positions in the signaling pathway were screened to conduct molecular docking studies with artemisinin. By analyzing the binding patterns between them, Three proteases, purine nucleoside phosphorylase (pfPNP), peptide deacetylase (pfPDF) and ribose-5-phosphate isomerase (pfRpiA), were found to be involved in the antimalarial effects of artemisinin, and artemisinin It may produce antimalarial effects through interventions in purine metabolism, pyrimidine metabolism, methionine metabolism, glyoxylate and dicarboxylic acid metabolism, and pentose phosphate pathway.