Molecular design and validation of halogen bonding orthogonal to hydrogen bonding in breast cancer MDM2-peptide complex

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• 作者：Anzhong Huang¹ ; Liang Zhou¹ ; Dawei Zhang ; Junliang Yao ; Yong Zhang ; ^{zl9957@sina.com}
• 关键词：Halogen bonding ; Hydrogen bonding ; MDM2 ; Peptide ; Breast cancer
• 刊名：Journal of Molecular Graphics and Modelling
• 出版年：2016
• 出版时间：November 2016
• 年：2016
• 卷：70
• 期：Complete
• 页码：40-44
• 全文大小：908 K
• 卷排序：70

文摘

An orthogonal interaction system is rationally induced to MDM2–peptide complex. The system contains a halogen bond and a hydrogen bond across the complex interface. The halogen bond is perpendicular to and independent of the hydrogen bond. The system is designed in silico and validated in vitro to stabilize the complex.