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Identification of structurally diverse growth hormone secretagogue agonists by virtual screening and structure-activity relationship analysis of 2-formylaminoacetamide derivatives.

Abstract：

:Two molecules with known growth hormone secretagogue (GHS) agonist activity were used as templates to computationally screen approximately 80000 compounds. A total of 108 candidate compounds were selected, and five of them were found to be active in the low-micromolar range in both cell-based and direct binding assays. These compounds were structurally diverse and significantly differed from known GHS agonists. The most active compound was subjected to SAR evaluation, which slightly increased its potency and identified molecular regions important for specific GHS agonist activity.

journal_name

J Med Chem

journal_title

Journal of medicinal chemistry

authors

Shoda M,Harada T,Kogami Y,Tsujita R,Akashi H,Kouji H,Stahura FL,Xue L,Bajorath J

doi

10.1021/jm040103i

keywords:

subject

Has Abstract

pub_date

2004-08-12 00:00:00

pages

4286-90

issue

17

eissn

0022-2623

issn

1520-4804

journal_volume

47

pub_type

杂志文章

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