84年鼠女哪年财运最旺,857comvvv色九欧美激情|85PO_87国产精品欲av国产av资源

[1]鄭春松,付長龍,葉錦霞,等.獨(dú)活治療骨關(guān)節(jié)炎疼痛的計(jì)算機(jī)模擬研究[J].中醫(yī)正骨,2017,29(07):1-4,11.
　ZHENG Chunsong,FU Changlong,YE Jinxia,et al.A computer simulation study of heracleum for treatment of osteoarthritis pain[J].The Journal of Traditional Chinese Orthopedics and Traumatology,2017,29(07):1-4,11.
點(diǎn)擊復(fù)制

獨(dú)活治療骨關(guān)節(jié)炎疼痛的計(jì)算機(jī)模擬研究()
分享到：

《中醫(yī)正骨》[ISSN:1001-6015/CN:41-1162/R]

卷:
第29卷
期數(shù):
2017年07期
頁碼:
1-4,11
欄目:
基礎(chǔ)研究
出版日期:
2017-07-20

文章信息/Info

Title:
A computer simulation study of heracleum for treatment of osteoarthritis pain
作者:
鄭春松1; 付長龍1; 葉錦霞2; 吳廣文2; 李西海2; 葉蕻芝2; 劉獻(xiàn)祥1
1.福建中醫(yī)藥大學(xué),福建 福州 350122; 2.福建省中西醫(yī)結(jié)合老年性疾病重點(diǎn)實(shí)驗(yàn)室,福建 福州 350122
Author(s):
ZHENG Chunsong1; FU Changlong1; YE Jinxia2; WU Guangwen2; LI Xihai2; YE Hongzhi2; LIU Xianxiang1
1.Fujian University of Traditional Chinese Medicine,Fuzhou 350122,Fujian,China 2.Fujian Key Laboratory of Integrated Medicine on Geriatrics,Fuzhou 350122,Fujian,China
關(guān)鍵詞:
骨關(guān)節(jié)炎;  獨(dú)活;  計(jì)算機(jī)模擬;  疼痛;  痹證
Keywords:
Key words osteoarthritis;  heracleum;  computer simulation;  pain;  arthralgia syndrome
摘要:
目的:探討?yīng)毣钪委煿顷P(guān)節(jié)炎(osteoarthritis,OA)疼痛的藥效物質(zhì)基礎(chǔ)和作用靶點(diǎn)。方法:分別從北京大學(xué)天然產(chǎn)物庫和DrugBank數(shù)據(jù)庫檢索獨(dú)活的化學(xué)成分68個(gè)和OA疼痛相關(guān)抗炎鎮(zhèn)痛藥物28個(gè),建立獨(dú)活化學(xué)成分分子數(shù)據(jù)集和OA疼痛相關(guān)藥物分子數(shù)據(jù)集,依托定量構(gòu)效關(guān)系平臺,分析2個(gè)分子集的化學(xué)空間。以白細(xì)胞介素(interleukin,IL)-1β、IL-6和腫瘤壞死因子-α(tumor necrosis factor-α,TNF-α)作為OA疼痛治療靶點(diǎn),利用分子對接和生物網(wǎng)絡(luò)技術(shù),構(gòu)建獨(dú)活活性成分-OA疼痛靶點(diǎn)作用網(wǎng)絡(luò),分析獨(dú)活活性成分與OA疼痛靶點(diǎn)的作用情況。結(jié)果:相對于OA疼痛相關(guān)藥物分子數(shù)據(jù)集,獨(dú)活化學(xué)成分分子數(shù)據(jù)集在化學(xué)空間上具有很好的分散性,且在后下方與OA疼痛相關(guān)藥物分子數(shù)據(jù)集有相似或相近的化學(xué)空間。獨(dú)活治療OA疼痛的藥效物質(zhì)基礎(chǔ)為香豆素類化合物(UNPD80777、UNPD49810、UNPD40977、UNPD35503、UNPD189982、UNPD134852和UNPD126813)和酚類化合物(UNPD24695),其中5個(gè)化合物(UNPD49810、UNPD40977、UNPD35503、UNPD189982、UNPD134852)只能作用1個(gè)靶點(diǎn),3個(gè)化合物(UNPD80777、UNPD126813、UNPD24695)可以作用2個(gè)靶點(diǎn),而且IL-1β、IL-6、UNPD80777、UNPD126813和UNPD24695具有較高的度和介數(shù)值。結(jié)論:獨(dú)活治療OA疼痛的主要藥效物質(zhì)基礎(chǔ)為香豆素類化合物(UNPD80777、UNPD126813)和酚類化合物(UNPD24695),關(guān)鍵作用靶點(diǎn)為IL-1β和IL-6。
Abstract:
ABSTRACT Objective:To explore the pharmacodynamic material basis and action targets of heracleum for treatment of osteoarthritis(OA)pain.Methods:Sixty-eight chemical components of heracleum and twenty-eight OA pain-related anti-inflammatory analgesic drugs were retrieved from Peking University Natural Product Library and DrugBank database respectively to build the molecular dataset of chemical components of heracleum and the molecular dataset of OA pain-related drugs.The chemical space of the 2 molecular datasets were analysed relying on the quantitative structure-activity relationship platform.Interleukin(IL)-1β,IL-6 and tumor necrosis factor-α(TNF-α)were used as therapeutic targets of OA pain.The network of interaction between active ingredients of heracleum and targets of OA pain were constructed by using molecular docking technology and biological network technology,and the interaction between active ingredients of heracleum and targets of OA pain were analyzed.Results:The molecular dataset of chemical components of heracleum had better dispersity in the chemical space compared to the molecular dataset of OA pain-related drugs,and its posterior-inferior part was similar to the molecular dataset of OA pain-related drugs in chemical space.The pharmacodynamic material basis of heracleum for treatment of OA pain included coumarin compounds(UNPD80777,UNPD49810,UNPD40977,UNPD35503,UNPD189982,UNPD134852 and UNPD126813)and phenolic compounds(UNPD24695).UNPD49810,UNPD40977,UNPD35503,UNPD189982 and UNPD134852 could act on one target; and UNPD80777,UNPD126813 and UNPD24695 could act on two targets.Furthermore,IL-1β,IL-6,UNPD80777,UNPD126813 and UNPD24695 had high degrees and betweenness values.Conclusion:The main pharmacodynamic material basis of heracleum for treatment of OA pain are coumarin compounds(UNPD80777 and UNPD126813)and phenolic compounds(UNPD24695),and their key action targets include IL-1β and IL-6.

參考文獻(xiàn)/References:

[1] 肖壯,唐濤,孫先潤,等.骨關(guān)節(jié)炎治療藥物的研究進(jìn)展[J].中國藥房,2016,27(35):5037-5040.
[2] 鄭春松,付長龍,葉蕻芝,等.獨(dú)活寄生湯在骨傷科的臨床應(yīng)用與實(shí)驗(yàn)研究進(jìn)展[J].風(fēng)濕病與關(guān)節(jié)炎,2015,4(12):62-66.
[3] 張廷模.中藥學(xué)[M].北京:高等教育出版社,2010:196-197.
[4] 宋京都,王巍,姚世霞,等.甘肅三種獨(dú)活商品鎮(zhèn)痛、抗炎作用研究[J].現(xiàn)代中藥研究與實(shí)踐,2006,20(1):33-34.
[5] ZHENG C,QIU M,XU X,et al.Understanding the diverse functions of Huatan Tongluo Fang on rheumatoid arthritis from a pharmacological perspective[J].Exp Ther Med,2016,12(1):87-94.
[6] 鄭春松,葉蕻芝,李西海,等.透骨消痛膠囊中補(bǔ)腎柔肝藥和活血祛風(fēng)藥治療骨關(guān)節(jié)炎作用方式的計(jì)算機(jī)模擬比較[J].中醫(yī)正骨,2015,27(7):6-10.
[7] 鄭春松,徐筱杰,劉獻(xiàn)祥,等.精制透骨消痛顆粒防治骨性關(guān)節(jié)炎的計(jì)算機(jī)藥理學(xué)[J].物理化學(xué)學(xué)報(bào),2010,26(3):775-783.
[8] 嚴(yán)培晶,鄭春松,葉蕻芝,等.基于計(jì)算機(jī)模擬研究雷公藤治療類風(fēng)濕關(guān)節(jié)炎的藥效物質(zhì)基礎(chǔ)與分子作用機(jī)制[J].中國組織工程研究,2016,20(12):1818-1824.
[9] GU J,GUI Y,CHEN L,et al.Use of natural products as chemical library for drug discovery and network pharmacology[J].PLoS One,2013,8(4):e62839.
[10] WISHART DS,KNOX C,GUO AC,et al.DrugBank:a comprehensive resource for in silico drug discovery and exploration[J].Nucleic Acids Res,2006,34(Database issue):D668-D672.
[11] ZHU F,SHI Z,QIN C,et al.Therapeutic target database update 2012:a resource for facilitating target-oriented drug discovery[J].Nucleic Acids Res,2012,40(Database issue):D1128-D1136.
[12] Deshpande N,Addess KJ,Bluhm WF,et al.The RCSB Protein Data Bank:a redesigned query system and relational database based on the mmCIF schema[J].Nucleic Acids Res,2005,33(Database issue):D233-D237.
[13] 姚志華,襲敏蕾,樊天佑.炎癥細(xì)胞因子在骨性關(guān)節(jié)炎疼痛中的作用機(jī)制[J].中國骨與關(guān)節(jié)雜志,2014,3(5):374-377.
[14] DOBSON CM.Chemical space and biology[J].Nature,2004,432(719):824-828.
[15] 黃欽,喬學(xué)斌,徐筱杰,等.中草藥有效成分化合物的化學(xué)空間分析[J].計(jì)算機(jī)與應(yīng)用化學(xué),2007,24(1):51-54.
[16] MONTES M,BRAUD E,MITEVA MA,et al.Receptor-based virtual ligand screening for the identification of novel CDC25 phosphatase inhibitors[J].J Chem Inf Model,2008,48(1):157-165.
[17] 鄭春松,徐筱杰,葉蕻芝,等.青風(fēng)藤治療骨性關(guān)節(jié)炎藥效物質(zhì)基礎(chǔ)多靶導(dǎo)向作用的計(jì)算機(jī)模擬研究[J].中國中西醫(yī)結(jié)合雜志,2012,32(3):375-379.
[18] SMOOT ME,ONO K,RUSCHEINSKI J,et al.Cytoscape 2.8:new features for data integration and network visualization[J].Bioinformatics,2011,27(3):431-432.
[19] 徐筱杰.中藥復(fù)方的計(jì)算機(jī)模擬研究[J].化學(xué)進(jìn)展,1999,11(2):202-204.
[20] 孟祥奇,黃桂成.祛痰除濕劑對離體培養(yǎng)的骨關(guān)節(jié)炎患者膝關(guān)節(jié)軟骨TNF-α,IL-1,IL-6 mRNA表達(dá)的影響[J].山東醫(yī)藥,2012,52(23):19-21.
[21] 竇曉麗,段曉琴,夏玲,等.骨關(guān)節(jié)炎:關(guān)節(jié)軟骨退變的相關(guān)研究與進(jìn)展[J].中國組織工程研究與臨床康復(fù),2011,15(20):3763-3766.
[22] ATTUR M,BELITSKAYA-LéVY I,OH C,et al.Increased interleukin-1β gene expression in peripheral blood leukocytes is associated with increased pain and predicts risk for progression of symptomatic knee osteoarthritis[J].Arthritis Rheum,2011,63(7):1908-1917.
[23] KAWASAKI Y,ZHANG L,CHENG JK,et al.Cytokine mechanisms of central sensitization:distinct and overlapping role of interleukin-1beta,interleukin-6,and tumor necrosis factor-alpha in regulating synaptic and neuronal activity in the superficial spinal cord[J].J Neurosci,2008,28(20):5189-5194.
[24] ORITA S,ISHIKAWA T,MIYAGI M,et al.Pain-related sensory innervation in monoiodoacetate-induced osteoarthritis in rat knees that gradually develops neuronal injury in addition to inflammatory pain[J].BMC Musculoskelet Disord,2011,12(1):134.
[25] 柯志鵬,張新莊,丁玥,等.利用網(wǎng)絡(luò)藥理學(xué)方法研究芪桂痛風(fēng)片的藥效物質(zhì)基礎(chǔ)與分子作用機(jī)制[J].中國中藥雜志,2015,40(14):2837-2842.
[26] 乙軍,周業(yè)庭,潘武,等.獨(dú)活揮發(fā)油灌胃對兔膝骨關(guān)節(jié)炎的保護(hù)作用及其機(jī)制[J].臨床骨科雜志,2013,16(4):451-454.
[27] 易增興.羌活與獨(dú)活水煎液的抗炎鎮(zhèn)痛作用[J].宜春學(xué)院學(xué)報(bào),2013,35(3):68-70.

相似文獻(xiàn)/References:

[1]孟維娜,明立功,王新德,等.關(guān)節(jié)鏡下清理聯(lián)合腓骨近1/3段截骨治療膝骨關(guān)節(jié)炎[J].中醫(yī)正骨,2015,27(11):40.
[2]明立功,孟維娜,王新德,等.腓骨近端截骨治療內(nèi)側(cè)間室膝骨關(guān)節(jié)炎的近期療效觀察[J].中醫(yī)正骨,2015,27(10):25.
[3]張杰,王人彥,張玉柱.膝骨關(guān)節(jié)炎的治療進(jìn)展[J].中醫(yī)正骨,2015,27(10):68.
[4]梁朝,蔡靜怡,閆立,等.針刀療法改善膝骨關(guān)節(jié)炎早期疼痛癥狀的療效評價(jià)[J].中醫(yī)正骨,2015,27(09):9.
　LIANG Zhao,CAI Jingyi,YAN Li,et al.Evaluation of the curative effect of needle-knife therapy for relieving knee pain in patients with early knee osteoarthritis[J].The Journal of Traditional Chinese Orthopedics and Traumatology,2015,27(07):9.
[5]王建武,黨建軍,李強(qiáng),等.四聯(lián)療法治療膝骨關(guān)節(jié)炎[J].中醫(yī)正骨,2015,27(08):44.
[6]劉紅娟,郭會利,郭樹農(nóng).云克聯(lián)合中藥治療膝骨關(guān)節(jié)炎的護(hù)理[J].中醫(yī)正骨,2015,27(08):75.
[7]陳衛(wèi)衡.探索建立系統(tǒng)的膝骨關(guān)節(jié)炎中醫(yī)臨床科研范式 和理論體系[J].中醫(yī)正骨,2015,27(07):1.
[8]鄭春松,葉蕻芝,李西海,等.透骨消痛膠囊中補(bǔ)腎柔肝藥和活血祛風(fēng)藥治療 骨關(guān)節(jié)炎作用方式的計(jì)算機(jī)模擬比較[J].中醫(yī)正骨,2015,27(07):6.
　ZHENG Chunsong,YE Hongzhi,LI Xihai,et al.Comparison of the mode of action of Bushen Rougan(補(bǔ)腎柔肝)drugs versus Huoxue Qufeng(活血祛風(fēng))drugs contained in Tougu Xiaotong Jiaonang(透骨消痛膠囊)for the treatment of osteoarthritis:A computer simulation study[J].The Journal of Traditional Chinese Orthopedics and Traumatology,2015,27(07):6.
[9]帥波,沈霖,楊艷萍,等.加味青娥丸治療膝骨關(guān)節(jié)炎的作用機(jī)制研究[J].中醫(yī)正骨,2015,27(07):15.
　SHUAI Bo,SHEN Lin,YANG Yanping,et al.Study on the mechanism of action of Jiawei Qing'e Wan(加味青娥丸)for the treatment of knee osteoarthritis[J].The Journal of Traditional Chinese Orthopedics and Traumatology,2015,27(07):15.
[10]梅其杰,袁長深,段戡,等.壯藥骨痹方燙熨聯(lián)合運(yùn)動療法治療膝骨關(guān)節(jié)炎的臨床研究[J].中醫(yī)正骨,2015,27(07):27.
　MEI Qijie,YUAN Changshen,DUAN Kan,et al.Clinical study of the curative effect of hot compressing and rubbing with packet of Gubi Fang(骨痹方)combined with exercise therapy in the treatment of knee osteoarthritis[J].The Journal of Traditional Chinese Orthopedics and Traumatology,2015,27(07):27.

備注/Memo

備注/Memo:
基金項(xiàng)目:國家自然科學(xué)基金項(xiàng)目(81573801); 福建省自然科學(xué)基金項(xiàng)目(2015J01338) 通訊作者:劉獻(xiàn)祥 E-mail:[email protected]
更新日期/Last Update: 2017-12-29