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Computational Tool for Fast in silico Evaluation of hERG K(+) Channel Affinity

The development of a novel comprehensive approach for the prediction of hERG activity is herein presented. Software Phase has been used to derive a 3D-QSAR model, employing as alignment rule a common pharmacophore built on a subset of 22 highly active compounds (threshold Ki: 50 nM) against hERG K(+...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:Front Chem
Prif Awduron: Chemi, Giulia, Gemma, Sandra, Campiani, Giuseppe, Brogi, Simone, Butini, Stefania, Brindisi, Margherita
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Frontiers Media S.A. 2017
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC5408157/
https://ncbi.nlm.nih.gov/pubmed/28503546
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fchem.2017.00007
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