Protein flexibility and drug design: how to hit a moving target

被引：256

作者：

Carlson, HA ^{[1
]}

机构：

[1] Univ Michigan, Dept Med Chem, Coll Pharm, Ann Arbor, MI 48109 USA

来源：

CURRENT OPINION IN CHEMICAL BIOLOGY | 2002年 / 6卷 / 04期

关键词：

D O I：

10.1016/S1367-5931(02)00341-1

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：

The most advanced methods for computer-aided drug design and database mining incorporate protein flexibility. Such techniques are not only needed to obtain proper results; they are also critical for dealing with the growing body of information from structural genomics.

引用

页码：447 / 452

页数：6

共 50 条

[31] Genomics and antimicrobial drug discovery [J].

Moir, DT ;

Shaw, KJ ;

Hare, RS ;

Vovis, GF .

ANTIMICROBIAL AGENTS AND CHEMOTHERAPY, 1999, 43 (03) :439-446

[32]

Najmanovich R, 2000, PROTEINS, V39, P261, DOI 10.1002/(SICI)1097-0134(20000515)39:3<261::AID-PROT90>3.0.CO

[33]

2-4

[34] Structural genomics programs at the US National Institute of General Medical Sciences - Foreword [J].

Norvell, JC ;

Machalek, AZ .

NATURE STRUCTURAL BIOLOGY, 2000, 7 (Suppl 11) :931-931

[35] Automated docking to multiple target structures:: Incorporation of protein mobility and structural water heterogeneity in AutoDock [J].

Österberg, F ;

Morris, GM ;

Sanner, MF ;

Olson, AJ ;

Goodsell, DS .

PROTEINS-STRUCTURE FUNCTION AND GENETICS, 2002, 46 (01) :34-40

[36] Binding mode prediction for a flexible ligand in a flexible pocket using multi-conformation simulated annealing pseudo crystallographic refinement [J].

Ota, N ;

Agard, DA .

JOURNAL OF MOLECULAR BIOLOGY, 2001, 314 (03) :607-617

[37] Binding sites in Escherichia coli dihydrofolate reductase communicate by modulating the conformational ensemble [J].

Pan, H ;

Lee, JC ;

Hilser, VJ .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2000, 97 (22) :12020-12025

[38] New roles for structure in biology and drug discovery - Foreword [J].

Russell, RB ;

Eggleston, DS .

NATURE STRUCTURAL BIOLOGY, 2000, 7 (Suppl 11) :928-930

[39] Docking ligands onto binding site representations derived from proteins built by homology modelling [J].

Schafferhans, A ;

Klebe, G .

JOURNAL OF MOLECULAR BIOLOGY, 2001, 307 (01) :407-427

[40] Virtual screening with solvation and ligand-induced complementarity [J].

Schnecke, V ;

Kuhn, LA .

PERSPECTIVES IN DRUG DISCOVERY AND DESIGN, 2000, 20 (01) :171-190

← 1 2 3 4 5 →