| 引用本文: | 徐煜彬,张洪伟,陈赛贞,陈桂荣,郭松.巴马汀抗脓毒症潜在靶点的筛选与鉴定[J].中国现代应用药学,2018,35(11):1602-1605. |
| XU Yubin,ZHANG Hongwei,CHEN Saizhen,CHEN Guirong,GUO Song.Optimization and Identification of Anti-sepsis Potential Targets of Palmatine[J].Chin J Mod Appl Pharm(中国现代应用药学),2018,35(11):1602-1605. |
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| 摘要: |
| 目的 研究巴马汀的分子特性，筛选并鉴定巴马汀抗脓毒症的潜在靶点。方法 通过中药系统药理学数据库和分析平台（TCMSP）分析巴马汀的药理参数和分子特性；通过TCMSP和DRAR-CPI软件筛选巴马汀抗脓毒症的潜在靶点；进一步通过分子对接软件鉴定巴马汀抗脓毒症的潜在靶点，免疫组化法验证潜在靶点。结果 巴马汀口服生物利用率为64.60%，血脑屏障渗透率为0.37，药物相似度为0.65，具有很好的成药性；通过TCMSP和DRAR-CPI软件共筛选到3个潜在靶点，经分子对接软件鉴定NOS3为巴马汀抗脓毒症的潜在靶点，免疫组化结果表明巴马汀能显著下调脓毒症大鼠NOS3的表达。结论 巴马汀具有很好的成药性，其可能通过结合并激活NOS3保护心肌抑制起到抗脓毒症的作用。 |
| 关键词: 巴马汀 靶点 计算钓靶法 脓毒症 |
| DOI：10.13748/j.cnki.issn1007-7693.2018.11.002 |
| 分类号:R965.2 |
| 基金项目:国家自然科学基金项目（81303205）；2016、2017年度辽宁省高等学校创新人才立项项目（LR2017002） |
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| Optimization and Identification of Anti-sepsis Potential Targets of Palmatine |
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XU Yubin1, ZHANG Hongwei1, CHEN Saizhen1, CHEN Guirong2, GUO Song3
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1.Department of Pharmacy, Taizhou Central Hospital, Taizhou University Hospital, Taizhou 318000, China;2.College of Pharmacy, Liaoning University of Traditional Chinese Medicine, Dalian 116600, China;3.Department of Computer Teaching and Research, Shenyang Sport University, Shenyang 110102, China
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| Abstract: |
| OBJECTIVE To study the characteristics of palmatine, to optimize and identify the potential targets of palmatine against sepsis. METHODS TCMSP database were used to analysis the pharmacological parameters and molecular characteristics of palmatine; TCMSP and DRAR-CPI software were used to select the anti-sepsis potential targets of palmatine; molecular docking software and immunohistochemical method were used to identify the anti-sepsis potential target. RESULTS The oral bioavailability of palmatine was 64.60%, the blood-brain barrier permeability was 0.37, and the drug-likeness was 0.65, indicating that palmatine had good drug formation. Three potential targets were optimized by TCMSP and DRAR-CPI software. NOS3 was identified as the potential target for anti-sepsis of palmatine by molecular docking software, the immunohistochemical result showed that palmatine could significantly down-regulate the expression of NOS3 in septic rats. CONCLUSION Palmatine has good drug formation, the anti-sepsis effect of it may be through binding and activating NOS3 to protect the myocardial inhibition. |
| Key words: palmatine target computational target fishing sepsis |
