Abstract:
:A series of novel 1,4-pentadien-3-one derivatives containing 4-thioquinazoline moiety were designed and synthesized. Antiviral bioassay results indicated that most of the title compounds exhibited excellent antiviral activities against tobacco mosaic virus (TMV) and cucumber mosaic virus (CMV) in vivo. Among the title compounds, 7j exhibited the best curative activity against TMV, with a half-maximal effective concentration (EC50) value of 213.5 μg/mL, which was better than that of ningnanmycin (270.9 μg/mL). Meanwhile, 7a showed remarkable protection activity against TMV and curative activity against CMV, with EC50 values of 124.3 and 365.5 μg/mL, respectively, which were superior to those of ningnanmycin (195.1 and 404.9 μg/mL, respectively). Comparative molecular field analysis (CoMFA) and comparative molecular similarity index analysis (CoMSIA) models were generated on the basis of the curative activities against TMV and exhibited good predictive abilities with cross-validated q(2) and non-cross-validated r(2) values for CoMFA and CoMSIA of 0.548, 0.647 and 0.994, 0.993, respectively. These results provided a practical tool for guiding the design and synthesis of novel and more potent 1,4-pentadien-3-one derivatives containing 4-thioquinazoline moiety.
journal_name
Eur J Med Chemjournal_title
European journal of medicinal chemistryauthors
Long C,Li P,Chen M,Dong L,Hu D,Song Bdoi
10.1016/j.ejmech.2015.08.029subject
Has Abstractpub_date
2015-09-18 00:00:00pages
639-47eissn
0223-5234issn
1768-3254pii
S0223-5234(15)30213-0journal_volume
102pub_type
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