求助帮忙检索文章是否被SCI收录。 QSAR and Molecular Docking on Five-Membered Heterocyclopyrimidines
答案:1 悬赏:60 手机版
解决时间 2021-11-13 21:01
- 提问者网友：我一贱你就笑
- 2021-11-13 16:27
求助帮忙检索文章是否被SCI收录。 QSAR and Molecular Docking on Five-Membered Heterocyclopyrimidines
最佳答案
- 五星知识达人网友：第幾種人
- 2021-11-13 17:22
恭喜你，你的文章已经被SCI检索，具体信息如下：
标题: QSAR and Molecular Docking on Five-Membered Heterocyclopyrimidines as Thymidylate Synthase Inhibitors
作者: Kang, CM (Kang Cong-Min); Zhao, XH (Zhao Xu-Hao); Wang, XY (Wang Xin-Yu); Cheng, JG (Cheng Jia-Gao); Lu, YT (Lu Ying-Tao)
来源出版物: ACTA PHYSICO-CHIMICA SINICA 卷: 29 期: 2 页: 431-438 DOI: 10.3866/PKU.WHXB201211151 出版年: FEB 2013
在 Web of Science 中的被引频次: 0
被引频次合计: 0
引用的参考文献数: 31
摘要: The three-dimensional quantitative structure-activity relationships (3D-QSAR) were established for 38 five-membered heterocyclopyrimidine thymidylate synthase inhibitors by using comparative molecular field analysis (CoMFA) and comparative similarity indices analysis (CoMSIA) techniques. With the CoMFA model, the cross-validated value (q(2)) was 0.662, the non-cross-validated value (R-2) was 0.921, and the external cross-validated value (Q(ext)(2)) was 0.85. And with the CoMSIA model, the corresponding q(2), R-2, and Q(ext)(2) values were 0.672, 0.884, and 0.81, respectively. The mode of action obtained by molecular docking was in agreement with the 3D-QSAR results. The results revealed that both models have good predictive capability to guide the design and structural modification of homologic compounds. Furthermore, these results also establish a base level for further research and development of new thymidylate synthase inhibitors.
入藏号: WOS:000314830400030
语种: Chinese
文献类型: Article
作者关键词: Five-membered heterocyclopyrimidine derivative; Three dimensional quantitative structure-activity relationship; Comparative molecular field analysis; Comparative molecular similarity indices analysis; Molecular docking
KeyWords Plus: DIHYDROFOLATE-REDUCTASE INHIBITORS; PARTIAL LEAST-SQUARES; ANTITUMOR AGENTS; DRUG DESIGN; BIOLOGICAL EVALUATION; 3D QSAR; DERIVATIVES; CHEMOTHERAPY; 3D-QSAR; TARGET
地址: [Kang Cong-Min; Zhao Xu-Hao; Wang Xin-Yu; Lu Ying-Tao] Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Shandong, Peoples R China.
[Cheng Jia-Gao] E China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, Shanghai 200237, Peoples R China.
通讯作者地址: Lu, YT (通讯作者),Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Shandong, Peoples R China.
电子邮件地址: lvyingtao@qust.edu.cn
出版商: PEKING UNIV PRESS
出版商地址: PEKING UNIV, CHEMISTRY BUILDING, BEIJING 100871, PEOPLES R CHINA
Web of Science 类别: Chemistry, Physical
研究方向: Chemistry
IDS 号: 088JN
ISSN: 1000-6818
29 字符的来源出版物名称缩写: ACTA PHYS-CHIM SIN
ISO 来源出版物缩写: Acta Phys.-Chim. Sin.
来源出版物页码计数: 8
基金资助致谢:
基金资助机构 授权号
National Natural Science Foundation of China
21072111
21172070
21272131
Shandong Provincial Natural Science Foundation, China ZR2011BM015
The project was supported by the National Natural Science Foundation of China (21072111, 21172070, 21272131) and Shandong Provincial Natural Science Foundation, China (ZR2011BM015).
标题: QSAR and Molecular Docking on Five-Membered Heterocyclopyrimidines as Thymidylate Synthase Inhibitors
作者: Kang, CM (Kang Cong-Min); Zhao, XH (Zhao Xu-Hao); Wang, XY (Wang Xin-Yu); Cheng, JG (Cheng Jia-Gao); Lu, YT (Lu Ying-Tao)
来源出版物: ACTA PHYSICO-CHIMICA SINICA 卷: 29 期: 2 页: 431-438 DOI: 10.3866/PKU.WHXB201211151 出版年: FEB 2013
在 Web of Science 中的被引频次: 0
被引频次合计: 0
引用的参考文献数: 31
摘要: The three-dimensional quantitative structure-activity relationships (3D-QSAR) were established for 38 five-membered heterocyclopyrimidine thymidylate synthase inhibitors by using comparative molecular field analysis (CoMFA) and comparative similarity indices analysis (CoMSIA) techniques. With the CoMFA model, the cross-validated value (q(2)) was 0.662, the non-cross-validated value (R-2) was 0.921, and the external cross-validated value (Q(ext)(2)) was 0.85. And with the CoMSIA model, the corresponding q(2), R-2, and Q(ext)(2) values were 0.672, 0.884, and 0.81, respectively. The mode of action obtained by molecular docking was in agreement with the 3D-QSAR results. The results revealed that both models have good predictive capability to guide the design and structural modification of homologic compounds. Furthermore, these results also establish a base level for further research and development of new thymidylate synthase inhibitors.
入藏号: WOS:000314830400030
语种: Chinese
文献类型: Article
作者关键词: Five-membered heterocyclopyrimidine derivative; Three dimensional quantitative structure-activity relationship; Comparative molecular field analysis; Comparative molecular similarity indices analysis; Molecular docking
KeyWords Plus: DIHYDROFOLATE-REDUCTASE INHIBITORS; PARTIAL LEAST-SQUARES; ANTITUMOR AGENTS; DRUG DESIGN; BIOLOGICAL EVALUATION; 3D QSAR; DERIVATIVES; CHEMOTHERAPY; 3D-QSAR; TARGET
地址: [Kang Cong-Min; Zhao Xu-Hao; Wang Xin-Yu; Lu Ying-Tao] Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Shandong, Peoples R China.
[Cheng Jia-Gao] E China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, Shanghai 200237, Peoples R China.
通讯作者地址: Lu, YT (通讯作者),Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Shandong, Peoples R China.
电子邮件地址: lvyingtao@qust.edu.cn
出版商: PEKING UNIV PRESS
出版商地址: PEKING UNIV, CHEMISTRY BUILDING, BEIJING 100871, PEOPLES R CHINA
Web of Science 类别: Chemistry, Physical
研究方向: Chemistry
IDS 号: 088JN
ISSN: 1000-6818
29 字符的来源出版物名称缩写: ACTA PHYS-CHIM SIN
ISO 来源出版物缩写: Acta Phys.-Chim. Sin.
来源出版物页码计数: 8
基金资助致谢:
基金资助机构 授权号
National Natural Science Foundation of China
21072111
21172070
21272131
Shandong Provincial Natural Science Foundation, China ZR2011BM015
The project was supported by the National Natural Science Foundation of China (21072111, 21172070, 21272131) and Shandong Provincial Natural Science Foundation, China (ZR2011BM015).
我要举报
如以上回答内容为低俗、色情、不良、暴力、侵权、涉及违法等信息，可以点下面链接进行举报！
点此我要举报以上问答信息
大家都在看
推荐资讯