利用网络药理学和分子对接策略研究葱高血压的潜在分子靶点Identification

IF 1.1 Q4 PHARMACOLOGY & PHARMACY
Aditya Trias Pradana, G. Haro, Novarianti Marbun, S. Rahmi, I. Iksen
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引用次数: 0

摘要

高血压是人类生命中无声的杀手之一,其特点是血压失控。尽管许多治疗性药物在治疗高血压方面取得了成功,但这些治疗方法也有其自身的缺点,最明显的是在成本和副作用方面。最近提出用天然产物治疗高血压。基于网络药理学和分子对接策略,研究了小葱抗高血压的潜力。通过检索可访问的数据库确定感兴趣的化合物和靶标。通过蛋白-蛋白互作(PPI)、基因本体(GO)和京都基因基因组百科全书(KEGG)等方法确定了葱的潜在靶点。在本研究中,获得了10个潜在的活性化合物。PPI结果显示SCR、STAT3、PIK3R1、CTNBB1和ESR1是高血压的主要靶点。GO和KEGG研究证实,PPI靶点主要参与膜和细胞质中的蛋白结合和催化作用。最后,通过分子对接,山奈酚、异鼠李素和槲皮素是小葱抗高血压活性最强的化合物。综上所述,小葱通过网络药理学和分子对接途径显示出抗高血压活性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Identification of potential molecular target of hypertension from Allium schoenoprasum by using network pharmacology and molecular docking strategies
Hypertension is one of the silent killers in human life which is characterized by uncontrolled blood pressure. Although many therapeutic drugs have demonstrated success in treating hypertension, these treatments have their own drawbacks, most notably in terms of cost and side effects. Hypertension treatment with natural products has lately been proposed. This study focused on the potential of Allium schoenoprasum against hypertension based on network pharmacology and molecular docking strategies. Interested compounds and targets were identified by searching accessible databases. Protein-protein interaction (PPI), Gene ontology (GO), and Kyoto encyclopedia of genes and genomes (KEGG) were conducted to determine the potential targets from Allium schoenoprasum. In this study, 10 potentially active compounds were obtained. PPI results showed SCR, STAT3, PIK3R1, CTNBB1, and ESR1 as the main targets of hypertension. GO and KEGG investigation confirmed the PPI targets are mainly involved in protein binding and catalytic in the membrane and cytoplasm. In the end, by using molecular docking, kaempferol, isorhamnetin, and quercetin showed the most potent compounds in Allium schoenoprasum against hypertension. In summary, Allium schoenoprasum exhibited antihypertensive activity via network pharmacology and molecular docking approaches.
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来源期刊
Pharmacia
Pharmacia PHARMACOLOGY & PHARMACY-
CiteScore
2.30
自引率
27.30%
发文量
114
审稿时长
12 weeks
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