中药网络药理学药效成分筛选与靶标预测的研究进展
详细信息    查看全文 | 推荐本文 |
  • 作者:刘志强 ; 王博龙
  • 关键词:中药 ; 网络药理学 ; 中药药效成分 ; 靶点预测
  • 中文刊名:ZCYA
  • 英文刊名:Chinese Traditional Patent Medicine
  • 机构:宜春学院化学与生物工程学院;
  • 出版日期:2019-01-20
  • 出版单位:中成药
  • 年:2019
  • 期:v.41
  • 基金:江西省教育厅项目(GJJ12596)
  • 语种:中文;
  • 页:ZCYA201901033
  • 页数:8
  • CN:01
  • ISSN:31-1368/R
  • 分类号:177-184
摘要
药效成分筛选与靶标预测是中药网络药理学研究的核心内容之一,本文就现阶段常用的网络药理学分析服务器、中药化学成分数据库、靶标预测技术等数据平台的使用方法、细节要点进行对比分析,并对其在中药网络药理学研究中的应用现状进行综述,以供研究人员参考。
        
引文
[1]罗国安,王义明,饶毅,等.中药中成药现代化进程[J].中成药,2000,22(1):71-79.
    [2]欧阳罗丹,马莉,肖小河,等.中药动物药的炮制现状与对策分析[J].中成药,2017,39(5):1034-1037.
    [3]洪筱坤,王智华,李琴韵,等.中成药化学成分分析测定[J].中成药,2000,22(1):80-85.
    [4]徐芳琴,张新睿,郭凤伟,等.中成药质量控制研究进展[J].现代生物医学进展,2014,14(31):6159-6163.
    [5]潘家祜.基于网络药理学的药物研发新模式[J].中国新药与临床杂志,2009,28(10):721-726.
    [6]刘志华,孙晓波.网络药理学:中医药现代化的新机遇[J].药学学报,2012,47(6):696-703.
    [7]周文霞.网络药理学的研究进展和发展前景[J].中国药理学与毒理学杂志,2015,29(5):760-762.
    [8] Hopkins A L. Network pharmacology[J]. Nat Biotechnol,2007,25(10):1110-111.
    [9]李梢.网络靶标:中药方剂网络药理学研究的一个切入点[J].中国中药杂志,2011,36(15):2017-2020.
    [10]刘艳飞,孙明月,赵莹科,等.网络药理学在中药药物重定位研究中的应用现状与思考[J].中国循证医学杂志,2017,17(11):1344-1349.
    [11]王琳珊,靳会欣,董占军.系统药理学研究方法在中药不良反应研究中的应用进展[J].中国药房,2017,28(35):5033-5036.
    [12]周文霞,程肖蕊,张永祥,等.网络药理学:认识药物及发现药物的新理念[J].中国药理学与毒理学杂志,2012,26(1):4-9.
    [13]程肖蕊,周文霞,张永祥.网络药理学实验研究相关技术[J].中国药理学与毒理学杂志,2012,26(2):131-137.
    [14]李想.中药成分与药理作用数据库系统的研究[D].长春:吉林农业大学,2002.
    [15]汝锦龙.中药系统药理学数据库和分析平台的构建和应用[D].杨凌:西北农林科技大学,2015.
    [16]薛瑞超.中药综合数据库-沟通中西药研究的桥梁[D].上海:华东师范大学,2013.
    [17]创腾科技.信息化引领未来[EB/OL]. http://www.neotrident.com/product/detail. aspxid=18. 2018-04-12.
    [18] Chen C Y. TCM Database@Taiwan:the world’s largest traditional Chinese medicine database for drug screening in silico[J]. PLoS One,2011,6(1):e15939.
    [19]欧阳子博. Herb BioMap2. 0数据库平台构建与挖掘[D].北京:清华大学,2014.
    [20] Ye H,Ye L,Kang H,et al. HIT:linking herbal active ingredients to targets[J]. Nucleic Acids Res, 2011, 39:D1055-D1059.
    [21] Chan E,Tan M,Xin J,et al. Interactions between traditional Chinese medicines and western therapeutics[J]. Curr Opin Drug Discov Devel,2010,13(1):50-65.
    [22]霍晓乾,谷宇,张燕玲.基于网络药理学的大黄利胆片的作用机制研究[J].中国中药杂志,2018,43(13):2770-2776.
    [23] Li H,Zhao L,Zhang B,et al. A network pharmacology approach to determine active compounds and action mechanisms of ge-gen-qin-lian decoction for treatment of type 2 diabetes[J].Evid Based Complement Alternat Med,2014,2014:495840.
    [24]吴纯伟,路丽,梁生旺,等.药物靶标预测技术在中药网络药理学中的应用[J].中国中药杂志,2016,41(3):377-382.
    [25] Perlman L,Gottlieb A,Atias N,et al. Combining drug and gene similarity measures for drug-target elucidation[J].J Comput Biol,2011,18(2):133-145.
    [26]霍梦琪,张燕玲,郑世超,等.基于共表达蛋白相互作用网络探讨川芎嗪治疗冠心病的机制[J]北京中医药大学学报,2016,39(12):989-997.
    [27] Swanson D R,Smalheiser N R. Implicit text linkages between medline records:using arrowsmith as an aid to scientific discovery[J]. Libr Trends,1999,48(1):48-59.
    [28] Kuhn M,von Mering C,Campillos M,et al. STITCH:interaction networks of chemicals and proteins[J]. Nucleic Acids Res,2008,36:D684-D688.
    [29] Overington J. ChEMBL. An interview with John Overington,team leader,chemogenomics at the european bioinformatics institute outstation of the european molecular biology laboratory(EMBL-EBI)[J]. J Comput Aided Mol Des,2009,23(4):195-198.
    [30] Liu X,Ouyang S,Yu B,et al. PharmMapper server:a web server for potential drug target identification using pharmacophore mapping approach[J]. Nucleic Acids Res,2010,38:W609-W614.
    [31] Luo H,Chen J,Shi L M,et al. DRAR-CPI:a server foridentifying drug repositioning potential and adverse drugreactions via the chemical-protein interactome[J]. Nucleic Acids Res,2011,39:W492-W498.
    [32] Wang J C,Chu P Y,Chen C M,et al. id Target:a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach[J]. Nucleic Acids Res,2012,40:W393-W399.
    [33] Liu H,Wang L,Lv M,et al. Alz Platform:an Alzheimer’s disease domain-specific chemogenomics knowledgebase for polypharmacology and target identification research[J]. J Chem Inf Model,2014,54(4):1050-1060.
    [34] Trott O,Olson A J. Auto Dock Vina:improving the speed and accuracy of docking with a new scoring function,efficient optimization,and multithreading[J]. J Comput Chem,2010,31(2):455-461.
    [35]黄勇,陈晨,张志毅,等. Autodock Vina与Discovery Studio在虚拟筛选耐药蛋白抑制剂中的比较[J].生物信息学,2012,10(4):248-253.
    [36] Zhao S,Li S. Network-based relating pharmacological and genomic spaces for drug target identification[J]. PLoS One,2010,5(7):e11764.
    [37] Liu Z,Guo F,Wang Y,et al. BATMAN-TCM:a bioinformatics analysis tool for molecular mechanism of traditional Chinese medicine[J]. Sci Rep,2016,6:21146.
    [38] Wang L,Ma C,Wipf P,et al. Target Hunter:An in silico target identification tool for predicting therapeutic potential of small organic molecules based on chemogenomic database[J].AAPS J,2013,15(2):395-406.
    [39]王仁杰,张艳军,王星星,等.利用知识发现工具Arrowsmith探讨龙血竭及其有效成分治疗缺血性脑卒中的潜在作用机制[J].中国实验方剂学杂志,2017,23(22):194-201.
    [40]周岩,陈伟,陈云志,等.基于Arrowsmith的柴胡治疗抑郁症的机制探讨[J].时珍国医国药,2017,28(5):1250-1252.
    [41]李文林,葛月兰,宿树兰,等.利用知识发现工具Arrowsmith探讨当归与痛经的相关性[J].中华医学图书情报杂志,2008,17(4):7-11.
    [42]戴逸飞,霍海如,王朋倩,等.基于系统药理模式挖掘中药寒热药性的关键靶标和疾病网络[J].中华中医药杂志,2018,33(2):521-526.
    [43]张婷,林江,林湧,等.水解珍珠蜂蜜液活性成分的网络药理学分析[J].中国实验方剂学杂志,2018,24(7):184-191.
    [44]吴晓敏,周毅生,杨俊腾,等.反向分子对接法预测龙须藤两种多甲氧基黄酮的分子靶标[J].中成药,2016,38(3):603-606.
    [45]韩彦琪,许浚,张喜民,等.基于网络药理学的元胡止痛滴丸治疗原发性痛经的作用机制研究[J].药学学报,2016,51(3):380-387.
    [46]李跃文,王博龙.二至丸抗肝纤维化活性成分靶点通路的网络预测[J].中国实验方剂学杂志,2018,24(11):186-190.
    [47]张潇,高耀,向欢,等.基于网络药理学的交泰丸治疗抑郁症作用机制研究[J].中草药,2017,48(8):1584-1590.
    [48]程功,张国财,马玲,等.基于反向分子对接的虫草素和三磷酸虫草素的生物活性[J].湖南农业大学学报(自然科学版),2016,42(3):262-267.
    [49]孙明月,陆芳,李睿,等.基于网络药理学的菊花舒心片治疗冠心病稳定型心绞痛的作用靶点预测[J].中西医结合心脑血管病杂志,2016,14(18):2084-2087.
    [50]陈思.基于化学信息学的抗心衰相关药物筛选和作用机制探讨[D].上海:第二军医大学,2017.
    [51]白雨,范雪梅,孙瀚,等.基于网络药理学的罗格列酮复方作用机制探讨[J].药学学报,2015,50(3):284-290.
    [52]汤化琪,梁瑞敏,陈宇,等. BATMAN-TCM在线分析工具预测玄胡索散治疗骨关节炎作用及初步验证研究[J].中华中医药学刊,2018,36(1):142-145.
    [53]邱冬妮,潘峰,谭希,等.基于网络药理学探讨补肾强督治偻方治疗强直性脊柱炎的作用机理[J].中医杂志,2018,59(2):151-155.
    [54]任真真,张燕玲,王星,等.三七皂苷类成分的蛋白质相互作用网络分析[J].中国中药杂志,2014,39(11):2097-2101.
    [55] Wang Y,Xiao J,Suzek T O,et al. PubChem:a public information system for analyzing bioactivities of small molecules[J]. Nucleic Acids Res,2009,37:W623-W633.
    [56] Wishart D S,Feunang Y D,Guo A C,et al. Drug Bank 5. 0:a major update to the DrugBank database for 2018[J]. Nucleic Acids Res,2018,46:D1074-D1082.
    [57] Chen Y Z,Zhi D G. Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule[J]. Proteins,2001,43(2):217-226.
    [58] Li H,Gao Z,Kang L,et al. Tar Fis Dock:a web server for identifying drug targets with docking approach[J]. Nucleic Acids Res,2006,34:W219-W224.
    [59] Chen Y Z, Ung C Y. Computer automated prediction of potential therapeutic and toxicity protein targets of bioactive compounds from Chinese medicinal plants[J]. Am J Chin Med,2002,30(1):139-154.
    [60] Cai J,Han C,Hu T,et al. Peptide deformylase is a potential target for anti-Helicobacter pylori drugs:reverse docking,enzymatic assay,and X-ray crystallography validation[J]. Protein Sci,2006,15(9):2071-2081.
    [61]李静,高丽,高耀,等.基于网络药理学的款冬花止咳化痰活性成分靶点探究[J].中草药,2018,49(1):179-187.
    [62]史海龙,党琳,崔亚亚,等.基于反向分子对接技术土贝母皂苷甲抗肿瘤机制研究[J].辽宁中医药大学学报,2016,18(7):124-129.
    [63] Wang Y,Liu Z,Li C,et al. Drug target prediction based on the herbs components:the study on the multitargets pharmacological mechanism of qishenkeli acting on the coronary heart disease[J]. Evid Based Complement Alternat Med, 2012,2012:698531.
    [64] Li Y H,Yu C Y,Li X X,et al. Therapeutic target database update 2018:enriched resource for facilitating bench-to-clinic research of targeted therapeutics[J]. Nucleic Acids Res,2018,46:D1121-D1127.
    [65] Rappaport N,Fishilevich S,Nudel R,et al. Rational confederation of genes and diseases:NGS interpretation via Gene Cards,Mala Cards and Var Elect[J]. Biomed Eng Online,2017,16(Suppl 1):72.
    [66] Grondin C J,Davis A P,Wiegers T C,et al. Accessing an expanded exposure science module at the comparative toxicogenomics database.[J]. Environ Health Perspect,2018,126(1):014501.
    [67] Hamosh A, Scott A F, Amberger J S, et al. Online mendelian inheritance in man(OMIM),a knowledgebase of human genes and genetic disorders[J]. Nucleic Acids Res,2005,33:D514-D517.
    [68] Berman H M. The protein data bank:a historical perspective[J]. Acta Crystallogr A,2007,64(1):88-95.
    [69] Consortium U P. Reorganizing the protein space at the Universal Protein Resource(Uni Prot)[J]. Nucleic Acids Res,2012,40:D71-D75.
    [70] Liu T,Lin Y,Wen X,et al. Binding DB:a web accessible database of experimentally determined protein ligand binding affinities[J]. Nucleic Acids Res,2007,35:D198-D201.
    [71]刘西,卢朋,左晓晗,等.基于二分图评价模型的网络药物靶标预测改进方法[J].中国中药杂志,2012,37(2):125-129.
    [72]辛卫云,白明,苗明三.基于网络药理学的中药研究及中成药二次开发模式探讨[J].中医学报,2016,31(1):92-95.
    [73]马飞祥,薛培凤,王媛媛,等.中药血清药物化学研究进展[J].中国中药杂志,2017,42(7):1265-1270.
    [74]秦建平,孙晓萍,吴建雄,等.天舒胶囊血中移行成分的UPLC-Q-TOF-MS分析[J].中草药, 2015, 46(5):649-653.
    [75]李圣耀,杨琳,高铸烨,等.清心解瘀方组方中药入血成分的网络药理学分析[J].中国实验方剂学杂志,2018,24(5):198-202.
    [76]方坚松,刘艾林,杜冠华,等.基于化学信息学方法预测药物靶点的研究进展[J].药学学报,2014,49(10):1357-1364.
    [77]彭利红,李泽军,陈敏,等.一种多信息融合的药物-靶标关联预测算法[J].计算机工程,2016,42(6):218-223,229.

© 2004-2018 中国地质图书馆版权所有 京ICP备05064691号 京公网安备11010802017129号

地址:北京市海淀区学院路29号 邮编:100083

电话:办公室:(+86 10)66554848;文献借阅、咨询服务、科技查新:66554700