Ligand-based virtual screen for the discovery of novel M(5) inhibitor chemotypes

This letter describes a ligand-based virtual screening campaign utilizing SAR data around the M(5) NAMs, ML375 and VU6000181. Both QSAR and Shape scores were employed to virtually screen a 98,000-member compound library. Neither approach alone proved productive, but a consensus score of the two mode...

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Publicado no:Bioorg Med Chem Lett
Main Authors: Geanes, Alexander R., Cho, Hykeyung P., Nance, Kellie D., McGowan, Kevin M., Conn, P. Jeffrey, Jones, Carrie K., Meiler, Jens, Lindsley, Craig W.
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4996684/
https://ncbi.nlm.nih.gov/pubmed/27503678
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmcl.2016.07.071
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