Scaffold diversity of natural products: inspiration for combinatorial library design

被引：166
作者：
Grabowski, Kristina [1 ]
Baringhaus, Karl-Heinz [2 ]
Schneider, Gisbert [1 ]
机构：
[1] Goethe Univ Frankfurt, Inst Inorgan Chem & Chem Biol, ZAFES CMP, D-60323 Frankfurt, Germany
[2] Sanofi Aventis Deutschland GmbH, D-65926 Frankfurt, Germany
来源：
NATURAL PRODUCT REPORTS | 2008年 / 25卷 / 05期
关键词：
D O I：
10.1039/b715668p
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
Natural products contain scaffold structures that can be systematically exploited for the design of combinatorial compound libraries with druglike properties. We review approaches for scaffold identification, and compare properties and pharmacophoric features of drugs and natural products. In particular, an application of the self-organizing map technique is presented for natural product-derived compound and library design.
引用
收藏
页码：892 / 904
页数：13
相关论文
共 110 条
[11]   Natural product guided compound library development [J].
Breinbauer, R ;
Manger, M ;
Scheck, M ;
Waldmann, H .
CURRENT MEDICINAL CHEMISTRY, 2002, 9 (23) :2129-2145
[12]  
Breinbauer R, 2002, ANGEW CHEM INT EDIT, V41, P2879
[13]  
BREMSER W, 1978, ANAL CHIM ACTA-COMP, V2, P355
[14]   Privileged structures as leads in medicinal chemistry [J].
Costantino, L ;
Barlocco, D .
CURRENT MEDICINAL CHEMISTRY, 2006, 13 (01) :65-85
[15]   Natural product extracts of plant and marine origin having antileukemia potential. The NCI experience [J].
Cragg, GM ;
Newman, DJ ;
Yang, SS .
JOURNAL OF NATURAL PRODUCTS, 2006, 69 (03) :488-498
[16]   Natural products in drug discovery and development [J].
Cragg, GM ;
Newman, DJ ;
Snader, KM .
JOURNAL OF NATURAL PRODUCTS, 1997, 60 (01) :52-60
[17]   DESCRIPTION OF SEVERAL CHEMICAL-STRUCTURE FILE FORMATS USED BY COMPUTER-PROGRAMS DEVELOPED AT MOLECULAR DESIGN LIMITED [J].
DALBY, A ;
NOURSE, JG ;
HOUNSHELL, WD ;
GUSHURST, AKI ;
GRIER, DL ;
LELAND, BA ;
LAUFER, J .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1992, 32 (03) :244-255
[18]   Molecular similarity analysis in virtual screening: foundations, limitations and novel approaches [J].
Eckert, Hanna ;
Bojorath, Juergen .
DRUG DISCOVERY TODAY, 2007, 12 (5-6) :225-233
[19]   Phytochemical databases of chinese herbal constituents and bioactive plant compounds with known target specificities [J].
Ehrman, Thomas M. ;
Barlow, David J. ;
Hylands, Peter J. .
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2007, 47 (02) :254-263
[20]   Virtual screening of Chinese herbs with random forest [J].
Ehrman, Thomas M. ;
Barlow, David J. ;
Hylands, Peter J. .
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2007, 47 (02) :264-278
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