Integration of Multi-Scale Molecular Modeling Approaches with Experiments for the in Silico Guided Design and Discovery of Novel Herg-Neutral Antihypertensive Oxazalone and Imidazolone Derivatives and Analysis of Their Potential Restrictive Effects on Cell Proliferation.
European Journal of Medicinal Chemistry（2017）
Key words
AT1 receptor,Virtual screening,Docking,MD simulations,Synthesis,Wound healing,Cell cycle analysis,Binary QSAR models
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