Identification of novel α7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric α7 receptor ligand binding domain

A. Akdemir, E.S. Edink, A.J. Thompson, S.C.R. Lummis, A.J. Kooistra, C. de Graaf, I.J.P. de Esch

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

A hierarchical in silico screening procedure using the crystal structure of an agonist bound chimeric α7/Ls-AChBP protein was successfully applied to both proprietary and commercial databases containing drug-like molecules. An overall hit rate of 26% (pK
Original languageEnglish
Pages (from-to)5992-5992
JournalBioorganic and Medicinal Chemistry
Volume20
DOIs
Publication statusPublished - 2012

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