Ligand efficiency indices as guideposts for drug discovery

被引：446

作者：

Abad-Zapatero, C ^{[1
]}

Metz, JT ^{[1
]}

机构：

[1] Abbott Labs, Dept Biol Struct, Abbott Pk, IL 60064 USA

来源：

DRUG DISCOVERY TODAY | 2005年 / 10卷 / 07期

关键词：

D O I：

10.1016/S1359-6446(05)03386-6

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

引用

页码：464 / 469

页数：6

共 22 条

[1] Can we learn to distinguish between "drug-like" and "nondrug-like" molecules? [J].

Ajay ;

Walters, WP ;

Murcko, MA .

JOURNAL OF MEDICINAL CHEMISTRY, 1998, 41 (18) :3314-3324

[2] FUNCTIONAL-GROUP CONTRIBUTIONS TO DRUG RECEPTOR INTERACTIONS [J].

ANDREWS, PR ;

CRAIK, DJ ;

MARTIN, JL .

JOURNAL OF MEDICINAL CHEMISTRY, 1984, 27 (12) :1648-1657

[3] The properties of known drugs .1. Molecular frameworks [J].

Bemis, GW ;

Murcko, MA .

JOURNAL OF MEDICINAL CHEMISTRY, 1996, 39 (15) :2887-2893

[4] Properties of known drugs. 2. Side chains [J].

Bemis, GW ;

Murcko, MA .

JOURNAL OF MEDICINAL CHEMISTRY, 1999, 42 (25) :5095-5099

[5] Prediction of drug absorption using multivariate statistics [J].

Egan, WJ ;

Merz, KM ;

Baldwin, JJ .

JOURNAL OF MEDICINAL CHEMISTRY, 2000, 43 (21) :3867-3877

[6] Fast calculation of molecular polar surface area as a sum of fragment-based contributions and its application to the prediction of drug transport properties [J].

Ertl, P ;

Rohde, B ;

Selzer, P .

JOURNAL OF MEDICINAL CHEMISTRY, 2000, 43 (20) :3714-3717

[7] Property distributions: Differences between drugs, natural products, and molecules from combinatorial chemistry [J].

Feher, M ;

Schmidt, JM .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2003, 43 (01) :218-227

[8] Improving the odds in discriminating "Drug-like" from "Non Drug-like" compounds [J].

Frimurer, TM ;

Bywater, R ;

Nærum, L ;

Lauritsen, LN ;

Brunak, S .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2000, 40 (06) :1315-1324

[9] Molecular complexity and its impact on the probability of finding leads for drug discovery [J].

Hann, MM ;

Leach, AR ;

Harper, G .

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2001, 41 (03) :856-864

[10] Ligand efficiency: a useful metric for lead selection [J].

Hopkins, AL ;

Groom, CR ;

Alex, A .

DRUG DISCOVERY TODAY, 2004, 9 (10) :430-431

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