Based on the antitumor activity of chalcone derivatives and their structure, the structure-activity relationship of chalcone derivatives was analyzed by CoMFA (comparative molecular field analysis) method and then the...Based on the antitumor activity of chalcone derivatives and their structure, the structure-activity relationship of chalcone derivatives was analyzed by CoMFA (comparative molecular field analysis) method and then the 3D-QSAR (the three dimensional quantitative structures activity relationship) model was established. The analytical results showed that the model had good stability and prediction ability with cross-validated Q2 and non-cross-validated R2 values of 0.527 and 0.995, respectively. The contour map of the model explained the relationship between the structure of chalcone derivatives and antitumor activity, and could be analyzed to design antitumor chalcone derivatives. We designed some structure of chalcone derivatives and calculated their antitumor activity. In this paper, 24 chalcone derivatives were studied by CoMFA, 3D-QSAR, molecular design, which provided theoretical for designing good activities chalcone derivatives.展开更多
Reaction of heterocycle substituted telluronium salts with aroma- tic aldehydes under mild conditions gave corresponding chalcones.In the presence of dibutyl telluride,2-bromomethyl-5-nitrofuran condensed easily with ...Reaction of heterocycle substituted telluronium salts with aroma- tic aldehydes under mild conditions gave corresponding chalcones.In the presence of dibutyl telluride,2-bromomethyl-5-nitrofuran condensed easily with aromatic aldehydes in THF to afford corresponding olefin derivatives as one-pot reaction.展开更多
A novel chalcone derivative was isolated from Onychium japonicum and its structure was elucidated by spectroscopic methods.The isolated compound showed cytotoxic activity against the human carcinoma cell lines Hela an...A novel chalcone derivative was isolated from Onychium japonicum and its structure was elucidated by spectroscopic methods.The isolated compound showed cytotoxic activity against the human carcinoma cell lines Hela and BEL-7402 in vitro.展开更多
Several dimethylamino-substituted chalcone (i .e. dimethylaminobenzal acetophenone) (DBA) derivatives with intramolecular charge transfer transition character were used as visible light sensitizers for radical photopo...Several dimethylamino-substituted chalcone (i .e. dimethylaminobenzal acetophenone) (DBA) derivatives with intramolecular charge transfer transition character were used as visible light sensitizers for radical photopolymerization initiated by iodonium salt (DPIO). Initiating radical species is produced from DBA sensitized photolysis of DPIO through the single electron transfer, accompanying the bleaching of DBA, The activity of DBA decreases as a function of substituent attached to phenyl ring in the order: DBA-2 (OCH_3) >DBA-1(H)> DBA-3 (Cl). The kinetic study on photopolymerization of MMA was carried out in CH_3CN solution at 30 ℃ by dilatometry. The polymerization rate was determined to be proportional to the concentration with exponents of 0.42, 0.25 and 0.86 for DPIO, DBA-1 and MMA, respectively.展开更多
A series of novel chalcone derivatives that contain the 1,1-dichloropropene moiety was designed and synthesized. Bioactivity assays showed that most of the target compounds exhibited moderate to good antiviral activit...A series of novel chalcone derivatives that contain the 1,1-dichloropropene moiety was designed and synthesized. Bioactivity assays showed that most of the target compounds exhibited moderate to good antiviral activity against tobacco mosaic virus（TMV） at 500 mg/m L. Among the target compounds,compound 7h showed the highest in vivo inactivation activity against TMV with the EC50 and EC90value of 45.6 and 327.5 mg/m L, respectively, which was similar to that of Ningnanmycin（46.9 and 329.4 mg/m L）and superior to that of Ribavirin（145.1 and 793.1 mg/m L）. Meanwhile, the microscale thermophoresis and fluorescence spectroscopy experiments showed that the compound 7h had a strong interaction with the tobacco mosaic virus coat protein.展开更多
The conjugate hydrocyanation of chalcone derivatives using ethyl cyanoacetate as an organic cyanide source at room temperature under open air and transition metal-free conditions was described. The protocol has advant...The conjugate hydrocyanation of chalcone derivatives using ethyl cyanoacetate as an organic cyanide source at room temperature under open air and transition metal-free conditions was described. The protocol has advantages of using relatively cheap, less toxic, stable and easy-to-handle cyanating reagent, high yield, and mild reaction condi- tion.展开更多
A series of novel chalcone derivatives containing purine moiety was designed and synthesized, and their antiviral activities against cucumber mosaic virus （CMV） and tobacco mosaic virus （TMV） were evaluated in viv...A series of novel chalcone derivatives containing purine moiety was designed and synthesized, and their antiviral activities against cucumber mosaic virus （CMV） and tobacco mosaic virus （TMV） were evaluated in vivo. Bioactivity assays indicated that some compounds showed good antiviral activities against CMV and TMV. It is worth mentioning that compounds 30, 3s, 3w, and 3x exhibited excellent curative activity against CMV, with ECso values of 301.1 μg/mL, 315.7 μg/mL, 282.3 μg/mL, 230.5 μg/mL, respectively, which were better than that of Dufulin （373.7 μg/mL） and Ribavirin （726.3 μg/mL）. In addition, the fluorescence spectroscopy experiment results showed that compound 3o showed strong combining capacity to tobacco mosaic virus coat orotein.展开更多
文摘Based on the antitumor activity of chalcone derivatives and their structure, the structure-activity relationship of chalcone derivatives was analyzed by CoMFA (comparative molecular field analysis) method and then the 3D-QSAR (the three dimensional quantitative structures activity relationship) model was established. The analytical results showed that the model had good stability and prediction ability with cross-validated Q2 and non-cross-validated R2 values of 0.527 and 0.995, respectively. The contour map of the model explained the relationship between the structure of chalcone derivatives and antitumor activity, and could be analyzed to design antitumor chalcone derivatives. We designed some structure of chalcone derivatives and calculated their antitumor activity. In this paper, 24 chalcone derivatives were studied by CoMFA, 3D-QSAR, molecular design, which provided theoretical for designing good activities chalcone derivatives.
文摘Reaction of heterocycle substituted telluronium salts with aroma- tic aldehydes under mild conditions gave corresponding chalcones.In the presence of dibutyl telluride,2-bromomethyl-5-nitrofuran condensed easily with aromatic aldehydes in THF to afford corresponding olefin derivatives as one-pot reaction.
文摘A novel chalcone derivative was isolated from Onychium japonicum and its structure was elucidated by spectroscopic methods.The isolated compound showed cytotoxic activity against the human carcinoma cell lines Hela and BEL-7402 in vitro.
文摘Several dimethylamino-substituted chalcone (i .e. dimethylaminobenzal acetophenone) (DBA) derivatives with intramolecular charge transfer transition character were used as visible light sensitizers for radical photopolymerization initiated by iodonium salt (DPIO). Initiating radical species is produced from DBA sensitized photolysis of DPIO through the single electron transfer, accompanying the bleaching of DBA, The activity of DBA decreases as a function of substituent attached to phenyl ring in the order: DBA-2 (OCH_3) >DBA-1(H)> DBA-3 (Cl). The kinetic study on photopolymerization of MMA was carried out in CH_3CN solution at 30 ℃ by dilatometry. The polymerization rate was determined to be proportional to the concentration with exponents of 0.42, 0.25 and 0.86 for DPIO, DBA-1 and MMA, respectively.
基金supported by the National Natural Science Foundation of China(Nos.21362004,21562013)Subsidy Project for Outstanding Key Laboratory of Guizhou Province in China(20154004)
文摘A series of novel chalcone derivatives that contain the 1,1-dichloropropene moiety was designed and synthesized. Bioactivity assays showed that most of the target compounds exhibited moderate to good antiviral activity against tobacco mosaic virus（TMV） at 500 mg/m L. Among the target compounds,compound 7h showed the highest in vivo inactivation activity against TMV with the EC50 and EC90value of 45.6 and 327.5 mg/m L, respectively, which was similar to that of Ningnanmycin（46.9 and 329.4 mg/m L）and superior to that of Ribavirin（145.1 and 793.1 mg/m L）. Meanwhile, the microscale thermophoresis and fluorescence spectroscopy experiments showed that the compound 7h had a strong interaction with the tobacco mosaic virus coat protein.
基金The authors thank the National Natural Science Foundation of China （Nos. 21462038, 21362034） and Key Laboratory of Eco-Environment-Related Polymer Materials of Ministry of Education for the financial support of this work.
文摘The conjugate hydrocyanation of chalcone derivatives using ethyl cyanoacetate as an organic cyanide source at room temperature under open air and transition metal-free conditions was described. The protocol has advantages of using relatively cheap, less toxic, stable and easy-to-handle cyanating reagent, high yield, and mild reaction condi- tion.
基金supported by the National Natural Science Foundation of China(Nos. 21562013 and 21362004)Subsidy Project for Outstanding Key Laboratory of Guizhou Province in China(No. 20154004)+1 种基金the Provincial University Cooperation Plan of Guizhou Province in China(No. 20147001)Collaborative Innovation Center for Natural Products and Biological Drugs of Yunnan
文摘A series of novel chalcone derivatives containing purine moiety was designed and synthesized, and their antiviral activities against cucumber mosaic virus （CMV） and tobacco mosaic virus （TMV） were evaluated in vivo. Bioactivity assays indicated that some compounds showed good antiviral activities against CMV and TMV. It is worth mentioning that compounds 30, 3s, 3w, and 3x exhibited excellent curative activity against CMV, with ECso values of 301.1 μg/mL, 315.7 μg/mL, 282.3 μg/mL, 230.5 μg/mL, respectively, which were better than that of Dufulin （373.7 μg/mL） and Ribavirin （726.3 μg/mL）. In addition, the fluorescence spectroscopy experiment results showed that compound 3o showed strong combining capacity to tobacco mosaic virus coat orotein.
