Towards a KCC2 blocker pharmacophore model.

Florence Lebon,Cécile Pégurier,Marie Ledecq,Benoit Mathieu,Nathalie Bosman,Anne Frycia,Sébastien Lengelé,Kashinath Dhurke,Ananda Kumar Kanduluru,Stéphane Meunier,Alain Wagner,Christian Wolff,Laurent Provins

Bioorganic & Medicinal Chemistry Letters（2012）

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摘要

The first pharmacophore model for KCC2 blockers was identified using a multi-disciplinary approach combining molecular modelling techniques, XRD, NMR, SAR analysis and synthesis of constrained analogues.

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关键词

KCC2,Pharmacophore,Bioactive conformations

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