Mabkhot Yahia N, Aldawsari Fahad D, Al-Showiman Salim S, Barakat Assem, Hadda Taibi Ben, Mubarak Mohammad S, Naz Sehrish, Ul-Haq Zaheer, Rauf Abdur
Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.
King Abdulaziz City for Science and Technology, P.O. Box 6086, Riyadh 11442, Saudi Arabia.
Molecules. 2015 Jan 23;20(2):1824-41. doi: 10.3390/molecules20021824.
Several series of novel substituted thienothiophene derivatives were synthesized by reacting the synthone 1 with different reagents. The newly synthesized compounds were characterized by means of different spectroscopic methods such as IR, NMR, mass spectrometry and by elemental analyses. The new compounds displayed significant activity against both Gram-positive and Gram negative bacteria, in addition to fungi. Molecular docking and POM analyses show the crucial role and impact of substituents on bioactivity and indicate the unfavorable structural parameters in actual drug design: more substitution doesn't guaranty more efficiency in bioactivity.
通过使合成酮1与不同试剂反应，合成了几个系列的新型取代噻吩并噻吩衍生物。通过红外光谱、核磁共振、质谱等不同光谱方法以及元素分析对新合成的化合物进行了表征。这些新化合物除了对真菌有活性外，对革兰氏阳性菌和革兰氏阴性菌均显示出显著活性。分子对接和POM分析表明取代基对生物活性的关键作用和影响，并指出了实际药物设计中不利的结构参数：更多的取代并不保证生物活性更高。
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