| 徐强,李海燕,金刚.木犀草素抗骨性关节炎潜在靶点的筛选与鉴定[J].浙江中医药大学学报,2020,44(4):381-386. |
| 木犀草素抗骨性关节炎潜在靶点的筛选与鉴定 |
| Optimization and Identification of Anti-osteoarthritis Potential Targets of Luteolin |
| DOI：10.16466/j.issn1005-5509.2020.04.016 |
| 中文关键词: 木犀草素 靶点 计算钓靶法 骨性关节炎 分子对接 MMP1 MMP3 |
| 英文关键词: luteolin target computational target fishing osteoarthritis molecular docking MMP1 MMP3 |
| 基金项目:浙江省中医药管理局计划项目(2015ZB131)；台州市科技计划项目(162yw06) |
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| 中文摘要: |
| [目的]研究木犀草素的分子特性，筛选并鉴定木犀草素抗骨性关节炎(osteoarthritis，OA)的潜在靶点。[方法]通过中药系统药理学数据库及分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform，TCMSP)分析木犀草素的药理参数和分子特性；通过Swiss TargetPrediction和药物再定位及药物不良反应预测(predict drug repositioning and adverse drug reaction，DRAR-CPI)软件筛选木犀草素抗OA的潜在靶点；通过人类孟德尔遗传(Online Mendelian Inheritance in Man，OMIM)数据库、比较毒物遗传学数据库(The Comparative Toxicogenomics Database，CTD)和药物靶标数据库(Therapeutic Target Database，TTD)筛选已报道与OA相关的疾病靶点，并与木犀草素潜在靶点进行匹配，确定木犀草素抗OA的靶点，进一步采用分子对接软件对木犀草素抗OA的潜在靶点进行鉴定。[结果]木犀草素口服生物利用率为36.16%，药物相似度为0.25，具有很好的成药性；Swiss TargetPrediction和DRAR-CPI软件共筛选出6个潜在靶点，与OA直接相关的靶点有3个，经分子对接软件鉴定，间质胶原酶1/基质金属蛋白酶1(interstitial collagenase 1/matrix metalloproteinase 1，MMP1)和基质分解素-1/基质金属蛋白酶3(stromelysin-1/matrix metalloproteinase 3，MMP3)为木犀草素抗OA的潜在靶点。[结论]木犀草素可能通过结合MMP1和MMP3，下调其表达量，最终缓解OA的炎症反应。 |
| 英文摘要: |
| [Objective] To study the molecular characteristics of luteolin, to optimize and identify the potential targets of luteolin anti-osteoarthritis(OA). [Methods]The pharmacological parameters and molecular characteristics of luteolin were analyzed by Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) database. The potential targets of luteolin were optimized by Swiss Target Prediction and predict drug repositioning and adverse drug reaction(DRAR-CPI) software, and the potential targets of luteolin anti-OA were selected by Online Mendelian Inheritance in Man(OMIM), The Comparative Toxicogenomics Database(CTD) and Therapeutic Target Database(TTD). The anti-OA potential target was identified by molecular docking software.[Results] The oral bioavailability of luteolin was 36.16%, the drug-likeness was 0.25， indicating luteolin had good drug formation. Six potential targets were optimized by Swiss Target Prediction and DRAR-CPI software, three targets were directly related to OA, interstitial collagenase 1/matrix metalloproteinase 1(MMP1) and stromelysin-1/matrix metalloproteinase 3 (MMP3) were identified as the potential targets for anti-OA of luteolin by molecular docking software.[Conclusion]Luteolin may down-regulate the expression of MMP1 and MMP3, and ultimately alleviate inflammation of OA. |
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