Synthesis, antiviral activity, and 3D-QSAR study of novel chalcone derivatives containing malonate and pyridine moieties

作者: Zhiwei Chen , Pei Li , Deyu Hu , Liangrui Dong , Jianke Pan

DOI: 10.1016/J.ARABJC.2015.05.003

关键词:

摘要: Abstract Several novel chalcone derivatives containing malonate and pyridine moieties were synthesized, their structures confirmed by 1 H nuclear magnetic resonance, 13 C 19 F infrared, elemental analyses. Antiviral bioassays revealed that most of the compounds exhibited good antiviral activity against cucumber mosaic virus (CMV) at 500 μg/mL. In particular, 5l 5n showed significant curative activities CMV in vivo with 50% effective concentration (EC 50 ) values 186.2 211.5 μg/mL, respectively; these are even better than ningnanmycin (330.5 μg/mL). A 3D quantitative structure–activity relationship study was carried out using comparative molecular field analysis technique based on CMV. Results predictive ability cross-validated q 2 non-cross-validated r 0.517 0.990, respectively.

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