Identification of novel α7 nAChR positive allosteric modulators with the use of pharmacophore in silico screening methods

被引：8

作者：

Capelli, Anna Maria ^{[1
]}

Castelletti, Laura ^{[1
]}

Salvagno, Cristian ^{[1
]}

Oliosi, Beatrice ^{[1
]}

Di Lenarda, Elisa ^{[1
,3
]}

Virginio, Caterina ^{[1
]}

Lightfoot, Andrew ^{[2
]}

Kew, James N. C. ^{[2
]}

Teague, Simon ^{[2
]}

机构：

[1] GlaxoSmithKline, Mol Discovery Res, I-37135 Verona, Italy

[2] GlaxoSmithKline, Neurosci Ctr Excellence Drug Discovery, Harlow Nfsp, Essex, England

[3] Novartis Pharma Schweizerhalle, NIBR, CH-4133 Schweizerhall, Switzerland

来源：

BIOORGANIC & MEDICINAL CHEMISTRY LETTERS | 2010年 / 20卷 / 15期

关键词：

Alpha7; nicotinic; Positive modulator; Pharmacophore; NICOTINIC ACETYLCHOLINE-RECEPTOR; AGONISTS; NEURONS; SCHIZOPHRENIA; INHIBITION; CALCIUM;

D O I：

10.1016/j.bmcl.2010.06.014

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

The pharmacophore model of in house potent and selective alpha 7 nAChR positive allosteric modulators is reported. The model was used to fish out commercially-available compounds from corporate 3D databases. As a result, novel alpha 7 positive modulator chemotypes were identified. A rat full PK profile of a representative compound is also described. (C) 2010 Elsevier Ltd. All rights reserved.

引用

页码：4561 / 4565

页数：5

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