Synthesis, crystal structure, biological evaluation, and molecular docking studies of quinoline-arylpiperazine derivative as potent α_1A-adrenoceptor antagonist

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• 作者：Wei Xu^a ; Renwang Jiang^a ; ^{rwjiang2008@126.com} ; Mu Yuan^b ; ^{mryuanmu838@sina.com}
• 关键词：α1-Adrenoceptor ; Quinoline-arylpiperazine ; X-ray crystallography ; Molecular docking ; Pharmacophoric model
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：15 February 2017
• 年：2017
• 卷：1130
• 期：Complete
• 页码：895-900
• 全文大小：1381 K
• 卷排序：1130

文摘

Structural properties of synthesized quinoline-arylpiperazine derivative (1) were investigated using X-ray crystallography and theoretical calculations. Compound 1 exhibited good selectivity for α1A-AR over α1B subtype. Molecular docking studies illustrated the relationships between binding modes and antagonistic activities towards α1A and α1B subtypes.