Synthesis, antiviral activity, and 3D-QSAR study of novel chalcone derivatives containing malonate and pyridine moieties
Authors:
- Zhiwei ChenZCZhiwei Chen
- Pei LiPei Li
- Deyu HuDHDeyu Hu
- Liangrui DongLDLiangrui Dong
- Jianke PanJPJianke Pan
- Liangzhi LuoLLLiangzhi Luo
- Weiying ZhangWZWeiying Zhang
- Wei XueWXWei Xue
- Linhong JinLJLinhong Jin
- Baoan SongBSBaoan Song
Open Access
- 1 December 2019
- journal article
- research article
- Published by Scientific Scholar in Arabian Journal of Chemistry
- Vol. 12 (8) , 2685-2696
Abstract
Several novel chalcone derivatives containing malonate and pyridine moieties were synthesized, and their structures were confirmed by 1H nuclear magnetic resonance, 13C nuclear magnetic resonance, 19F nuclear magnetic resonance, infrared, and elemental analyses. Antiviral bioassays revealed that most of the compounds exhibited good antiviral activity against cucumber mosaic virus (CMV) at 500μg/mL. In particular, compounds 5l and 5n showed significant curative activities against CMV in vivo with 50% effective concentration (EC50) values of 186.2 and 211.5μg/mL, respectively; these values are even better than that of ningnanmycin (330.5μg/mL). A 3D quantitative structure–activity relationship study was carried out using the comparative molecular field analysis technique based on curative activities against CMV. Results revealed good predictive ability with cross-validated q2 and non-cross-validated r2 values of 0.517 and 0.990, respectivelyKeywords
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