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X-ray Crystallography, DFT Calculations and Molecular Docking of Indole-Arylpiperazine Derivatives as α(1A)-Adrenoceptor Antagonists
Indole-arylpiperazine derivatives have exhibited good selectivity for the α(1A)-adrenoceptor, but the structure-activity-binding mechanism relationship remains unclear. In the current study, three compounds (1, 2 and 3) were investigated through single-crystal X-ray diffraction analysis, density fun...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6332402/ https://www.ncbi.nlm.nih.gov/pubmed/26528963 http://dx.doi.org/10.3390/molecules201119651 |