药效团技术在中药药效成分研究中的应用

被引：15

作者：

王星

张燕玲

乔延江

机构：

[1] 北京中医药大学中药信息工程研究中心/北京“中药基础与新药研究重点实验室”

来源：

世界科学技术(中医药现代化) | 2012年 / 14卷 / 04期

关键词：

药效团; 中药有效成分辨识; 靶标搜寻; 应用;

D O I：

暂无

中图分类号：

R285 [中药药理学];

学科分类号：

100806 [中药药理学];

摘要：

中药药效物质基础及作用机制研究一直是中药研究的重点和难点,随着药效团虚拟筛选技术在先导化合物的发现、优化与药物分子设计等方面应用的成熟,该技术在现代中药研究中的应用也逐渐受到关注。本文对药效团技术的研究进展及其在中药有效成分辨识、靶标搜寻、中药对代谢酶作用及中药药性研究中的应用进行了综述,并对目前存在问题、对策及应用前景进行了探讨和展望。

引用

页码：1779 / 1785

页数：7

共 31 条

[1]

中药复方黄连解毒汤药效物质基础的计算机虚拟筛选研究 [D].

龙伟 .

中国协和医科大学,

2008

[2]

Ligand- and Protein-Based Modeling Studies of the Inhibitors of Human Cytochrome P450 2D6 and a Virtual Screening for Potential Inhibitors from the Chinese Herbal Medicine, Scutellaria baicalensis (Huangqin, Baikal Skullcap) [J].

Mo, Sui-Lin ;

Liu, Wei-Feng ;

Chen, Yuling ;

Luo, Hai-Bin ;

Sun, Lai-Bao ;

Chen, Xiao-Wu ;

Zhou, Zhi-Wei ;

Sneed, Kevin B. ;

Li, Chun Guang ;

Du, Yao-Min ;

Liang, Jun ;

Zhou, Shu-Feng .

COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2012, 15 (01) :36-80

[3]

Pharmacophore Alignment Search Tool: Influence of Canonical Atom Labeling on Similarity Searching [J].

Haehnke, Volker ;

Rupp, Matthias ;

Krier, Mireille ;

Rippmann, Friedrich ;

Schneider, Gisbert .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 31 (15) :2810-2826

[4]

Pharmacophore and structure–activity relationships of integrase inhibition within a dual inhibitor scaffold of HIV reverse transcriptase and integrase.[J].Zhengqiang Wang;Jing Tang;Christine E. Salomon;Christine D. Dreis;Robert Vince.Bioorganic & Medicinal Chemistry.2010, 12

[5]

Ligand and structure based pharmacophore modeling to facilitate novel histone deacetylase 8 inhibitor design [J].

Thangapandian, Sundarapandian ;

John, Shalini ;

Sakkiah, Sugunadevi ;

Lee, Keun Woo .

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2010, 45 (10) :4409-4417

[6]

Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19) [J].

Muftuoglu, Yagmur ;

Mustata, Gabriela .

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2010, 20 (10) :3050-3064

[7]

Pharmacophore and docking-based combined in-silico study of KDR inhibitors [J].

Pasha, F. A. ;

Muddassar, M. ;

Neaz, M. M. ;

Cho, Seung Joo .

JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2009, 28 (01) :54-61

[8]

Structure-based shape pharmacophore modeling for the discovery of novel anesthetic compounds [J].

Ebalunode, Jerry O. ;

Dong, Xialan ;

Ouyang, Zheng ;

Liang, Jie ;

Eckenhoff, Roderic G. ;

Zheng, Weifan .

BIOORGANIC & MEDICINAL CHEMISTRY, 2009, 17 (14) :5133-5138

[9]

X-ray structure of the ternary MTX·NADPH complex of the anthrax dihydrofolate reductase: A pharmacophore for dual-site inhibitor design.[J].Brad C. Bennett;Qun Wan;Md Faiz Ahmad;Paul Langan;Chris G. Dealwis.Journal of Structural Biology.2009, 2

[10]

Towards improving compound selection in structure-based virtual screening.[J].Bohdan Waszkowycz.Drug Discovery Today.2008, 5

← 1 2 3 4 →