Synthesis, biological activities, and quantitative structure-activity relationship (QSAR) study of novel camptothecin analogues.
Synthesis, biological activities, and quantitative structure-activity relationship (QSAR) study of novel camptothecin analogues.
复制标题
DOI：
10.3390/molecules20058634
复制
发表时间：
2015-05-13
期刊：
影响因子：
--
通讯作者：
Chen AL
中科院分区：
文献类型：
--
作者：
Wu D;Zhang SY;Liu YQ;Wu XB;Zhu GX;Zhang Y;Wei W;Liu HX;Chen AL
In continuation of our program aimed at the development of natural product-based pesticidal agents, three series of novel camptothecin derivatives were designed, synthesized, and evaluated for their biological activities against T. Cinnabarinus, B. brassicae, and B. xylophilus. All of the derivatives showed good-to-excellent activity against three insect species tested, with LC50 values ranging from 0.00761 to 0.35496 mmol/L. Remarkably, all of the compounds were more potent than CPT against T. Cinnabarinus, and compounds 4d and 4c displayed superior activity (LC50 0.00761 mmol/L and 0.00942 mmol/L, respectively) compared with CPT (LC50 0.19719 mmol/L) against T. Cinnabarinus. Based on the observed bioactivities, preliminary structure–activity relationship (SAR) correlations were also discussed. Furthermore, a three-dimensional quantitative structure–activity relationship (3D-QSAR) model using comparative molecular field analysis (CoMFA) was built. The model gave statistically significant results with the cross-validated q2 values of 0.580 and correlation coefficient r2 of 0.991 and of 0.993. The QSAR analysis indicated that the size of the substituents play an important in the activity of 7-modified camptothecin derivatives. These findings will pave the way for further design, structural optimization, and development of camptothecin-derived compounds as pesticidal agents.
登录
查看更多内容
影响因子：
10.4
作者：
BORKOVEC, AB
通讯作者：
BORKOVEC, AB
新型含肟醚基苯甲酰基苯基脲的设计、合成、生物活性和构效关系（SAR）研究
影响因子：
6.1
作者：
Sun, Ranfeng;Lue, Maoyun;Wang, Qingmin
通讯作者：
Wang, Qingmin
新型喜树碱自旋标记衍生物的合成及杀虫活性
影响因子：
0.3
作者：
Liu, Ying-Qian;Dai, Wei;Li, Hong-Yu
通讯作者：
Li, Hong-Yu
影响因子：
6.1
作者：
Petroski, Richard J.;Stanley, David W.
通讯作者：
Stanley, David W.
影响因子：
7.3
作者：
Hallur, G;Jimeno, A;Khan, SR
通讯作者：
Khan, SR