Synthesis, structure, theoretical calculations and biological activity of sulfonate active ester new derivatives

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• 作者：Mohamed Ghazzali^a ; ^{mghazzali@ksu.edu.sa} ; ^{m.ghazzali@gmail.com} ; Sherine A.N. Khattab^b ; Yasser A. Elnakady^c ; Fahd A. Al-Mekhlafi^c ; Khalid Al-Farhan^a ; Ayman El-Faham^a ; ^b
• 关键词：Sulfonate active ester ; N-protected amino acid ; X-ray single crystal diffraction ; Biological activity ; DFT/MP2 calculations
• 刊名：Journal of Molecular Structure
• 出版年：2013
• 出版时间：23 August, 2013
• 年：2013
• 卷：1046
• 期：Complete
• 页码：147-152
• 全文大小：1744 K

文摘

A series of naphthyl and tolyl sulfonate ester were synthesized and characterized by H NMR. X-ray single crystal diffraction experiments established the molecular structure of three new sulfonate esters derivatives, and spectral data agree with these in solution. The observed hydrogen bonding is discussed on the basis of crystal structural analyses and DFT/MP2 geometry optimization quantum calculations. Antimicrobial activities were screened for selected compounds against three human cancer cell lines and Mosquito Culex pipiens larvae.