期刊
MOLECULES
卷 20, 期 7, 页码 11861-11874出版社
MDPI
DOI: 10.3390/molecules200711861
关键词
4-thioquinazoline derivatives; chalcone moiety; synthesis; antiviral activity; TMV; 3D-QASR; MST
资金
- National Natural Science Foundation of China [21362004]
- Collaborative Innovation Center for Natural Products and Biological Drugs of Yunnan
A series of novel 4-thioquinazoline derivatives containing chalcone moiety were designed, synthesized and systematically evaluated for their antiviral activity against TMV. The bioassay results showed that most of these compounds exhibited moderate to good anti-TMV activity. In particular, compounds M-2 and M-6 possessed appreciable protection activities against TMV in vivo, with 50% effective concentration (EC50) values of 138.1 and 154.8 mu g/mL, respectively, which were superior to that of Ribavirin (436.0 mu g/mL). The results indicated that chalcone derivatives containing 4-thioquinazoline moiety could effectively control TMV. Meanwhile, the structure-activity relationship (SAR) of the target compounds, studied using the three-dimensional quantitative structure-activity relationship (3D-QSAR) method of comparative molecular field analysis (CoMFA) based on the protection activities against TMV, demonstrated that the CoMFA model exhibited good predictive ability with the cross-validated q(2) and non-cross-validated r(2) values of 0.674 and 0.993, respectively. Meanwhile, the microscale thermophoresis (MST) experimental showed that the compound M-6 may interaction with the tobacco mosaic virus coat protein (TMV CP).
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