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[1]鄭春松,葉蕻芝,李西海,等.分子對接法對補腎壯筋湯治療骨性關(guān)節(jié)炎有效成分群的研究[J].中醫(yī)正骨,2012,24(01):8-10.
 ZHENG Chun-song*,YE Hong-zhi,LI Xi-hai,et al.Study on the active components groups of BUSHENZHUANGJIN decoction for osteoarthritis by molecular docking method[J].The Journal of Traditional Chinese Orthopedics and Traumatology,2012,24(01):8-10.
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分子對接法對補腎壯筋湯治療骨性關(guān)節(jié)炎有效成分群的研究()
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《中醫(yī)正骨》[ISSN:1001-6015/CN:41-1162/R]

卷:
第24卷
期數(shù):
2012年01期
頁碼:
8-10
欄目:
骨關(guān)節(jié)炎
出版日期:
2012-01-31

文章信息/Info

Title:
Study on the active components groups of BUSHENZHUANGJIN decoction for osteoarthritis by molecular docking method
作者:
鄭春松1葉蕻芝1李西海2許惠鳳2吳廣文2劉獻祥1
1.福建中醫(yī)藥大學(xué)中西醫(yī)結(jié)合研究院,福建 福州 350108;
2.福建省中西醫(yī)結(jié)合老年性疾病重點實驗室,福建 福州 350108
Author(s):
ZHENG Chun-song*YE Hong-zhiLI Xi-haiXU Hui-fengWU Guang-wenLIU Xian-xiang.
*Academy of Integrated Traditional Chinese Medicine with Western Medicine of Fujian University of Traditional Chinese Medicine,Fuzhou 350108,Fujian,China
關(guān)鍵詞:
骨關(guān)節(jié)炎 中草藥 中藥藥理學(xué) 藥理作用分子作用機制 補腎壯筋湯
Keywords:
Osteoarthritis DrugsChinese herbal Pharmacology(TCD) Molecular mechanisms of pharmacological action BUSHENZHUANGJIN decoction
摘要:
目的:尋找補腎壯筋湯的有效成分群,探討補腎壯筋湯治療骨性關(guān)節(jié)炎的作用機制,為其臨床治療骨性關(guān)節(jié)炎及中藥的現(xiàn)代開發(fā)提供依據(jù)。方法:以補腎壯筋湯的藥物成分為研究對象,從中藥原植物化學(xué)成分手冊和北京大學(xué)中草藥數(shù)據(jù)庫中收集該方所含化合物,共收集到250個分子式。選擇白細(xì)胞介素-lβ、腫瘤壞死因子-α、環(huán)氧化酶-2和誘導(dǎo)型一氧化氮合酶為靶點,應(yīng)用Discovery Studio 2.0軟件進行分子對接計算,以DOCKSCORE參數(shù)值為評價指標(biāo),觀察補腎壯筋湯的藥物成分與靶點蛋白的匹配程度。結(jié)果:補腎壯筋湯中有25種化合物,每種能同時對2或3種靶點有抑制效應(yīng); 還有10種化合物,每種僅對1種靶點有抑制效應(yīng)。結(jié)論:補腎壯筋湯治療骨性關(guān)節(jié)炎的藥效物質(zhì)基礎(chǔ)是有效成分群,補腎壯筋湯治療骨性關(guān)節(jié)炎具有多靶點效應(yīng)。
Abstract:
Objective:To find out the active components of BUSHENZHUANGJIN decoction and explore its mechanism of action on osteoarthritis for the purpose of treatments of osteoarthritis in clinical and modern development of traditional Chinese medicine.Methods:The compounds contained in BUSHENZHUANGJIN decoction were chosen as objects of study.The molecular formulas of these compounds were collected from Traditional Chinese medicines: molecular structures,natural sources,and applications and Chinese Herbal Medicine Database of Beijing University.Two hundred and fifty molecular formulas were collected totally.Interleukin-1β(IL-1β),tumor necrosis factor-α(TNF-α),cyclooxygenase-2(COX-2)and inducible nitric oxide synthase(iNOS)were chosen as targets.Molecular docking was processed using Discovery Studio 2.0 software.The level of matching between the ingredients of BUSHENZHUANGJIN decoction and target protein was observed according to DOCKSCORE as evaluation indicators.Results:Every one of 25 kinds of chemical compound contained in BUSHENZHUANGJIN decoction could produce depressive effect on 2 or 3 kinds of target protein at the same time,and every one of 10 kinds of chemical compound contained in BUSHENZHUANGJIN decoction could produce depressive effect on one kind of target protein.Conclusion:In the treatment of osteoarthritis,the pharmacodyamic material basis of BUSHENZHUANGJIN decoction is the active components groups,and BUSHENZHUANGJIN decoction has multi-target effect.

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備注/Memo

備注/Memo:
基金項目:陳可冀中西醫(yī)結(jié)合發(fā)展基金課題(CKJ2010032)
通訊作者:劉獻祥 E-mail:[email protected]
更新日期/Last Update: 2012-01-20