Conformation Control of Abiotic 伪-Helical Foldamers
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- 作者：Serge Perato ; Jade Fogha ; Muriel Sebban ; Anne Sophie Voisin-Chiret ; Jana Sopkova-de Oliveira Santos ; Hassan Oulyadi ; Sylvain Rault
- 刊名：Journal of Chemical Information and Modeling
- 出版年：2013
- 出版时间：October 28, 2013
- 年：2013
- 卷：53
- 期：10
- 页码：2671-2680
- 全文大小：612K
- 年卷期：v.53,no.10(October 28, 2013)
- ISSN：1549-960X
文摘
With the aim to find new protein鈥損rotein inhibitors, a three part methodology was applied to oligophenylpyridines. Theoretical ring twist angle predictions have been validated by X-ray diffraction and molecular dynamics simulations with NMR constraints. Careful choice of substituent and nitrogen positions in oligophenylpyridyl foldamer units opens the way to conformational control of the side chain distribution of this 伪-helix mimic.