期刊文献+
共找到3篇文章
< 1 >
每页显示 20 50 100
Synthesis, Docking and Biological Evaluation of Isoquinolonic Acid Derivatives 被引量:1
1
作者 ZHANG Hao ZHENG Yu-qiong GUO Jing WANG Xiao-ming YANG Yong-hua 《Chemical Research in Chinese Universities》 SCIE CAS CSCD 2013年第6期1110-1114,共5页
A series of isoquinolonic acid derivatives(4a-4o) was synthesized via one-pot synthesis for their anti-tumor activity. The structures of all the targeted compounds were confirmed by IH nuclear magnetic resonance (I... A series of isoquinolonic acid derivatives(4a-4o) was synthesized via one-pot synthesis for their anti-tumor activity. The structures of all the targeted compounds were confirmed by IH nuclear magnetic resonance (IH NMR) spectrometry and mass spectrometry(MS). The anti-tumor activities of compounds 4a-4o against MG63(human osteosarcoma cells) and B16-F10(mouse melanoma cells) were examined. To evaluate the antitumor effect of the as-synthesized compounds, we compared the half maximal inhibitory concentration(1C50) of compounds 4a--4o to that of camptothecin(CPT) which appeared to be active against a broad range of human cancers. Among all the compounds, compound 41 shows the most potent biological activity against MG63 cells[IC50=(2.16i0.26) μmol/L] and B16-F10 cells[IC50=(6.95±0.24)μmol/L], thus providing useful information for the antitumor activity and potential practical use of isoquinolonic acid compounds. In addition, we screened out an efficient compound(41) that shows potential inhibit activity against Topoisomerase 1(Topo 1) by docking simulation. 展开更多
关键词 isoquinolonic acid compound Antitumor activity Molecular docking
原文传递
Ru(Ⅱ)-Catalyzed Selective C-H Alkynylation of Isoquinolones,Quinazolones and Phthalazinones with Bromoalkynes
2
作者 Quan-Jian Luo Han-Chi Wang +2 位作者 Jing Zhang Jin-Heng Li Bo Sun 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2024年第15期1686-1690,共5页
A new,selective Ru(Ⅱ)-catalyzed alkynylation reaction of isoquinolones,quinazolones and phthalazinones with readily available bromoalkynes has been developed.This reaction enables the selective construction of a new ... A new,selective Ru(Ⅱ)-catalyzed alkynylation reaction of isoquinolones,quinazolones and phthalazinones with readily available bromoalkynes has been developed.This reaction enables the selective construction of a new C(sp^(2))-C(sp)bond through C-H activation and C-Br functionalization,and offers an effective and selective route to synthesizing highly valuable alkynylated isoquinolone,quinazolone and phthalazinonederivatives with a wide substrate scope and highselectivity. 展开更多
关键词 Ru(Ⅱ) ALKYNYLATION Isoquinolones Bromoalkynes Heterocyclic compounds C-H activation C-C coupling Synthetic methods
原文传递
QSAR Study and Molecular Design of Isoquinolone Derivative JNK1 Inhibitors 被引量:1
3
作者 TONG Jian-Bo XIAO Xue-Chuna +2 位作者 LUO Ding XU Hai-Yin WANG Jie 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2021年第12期1586-1594,1551,共10页
JNK1 is a drug target for the treatment of type 2 diabetes,and it plays a key mediator role in metabolic disorders.In this paper,holographic quantitative structure-activity relationship(HQSAR)technology and Topomer co... JNK1 is a drug target for the treatment of type 2 diabetes,and it plays a key mediator role in metabolic disorders.In this paper,holographic quantitative structure-activity relationship(HQSAR)technology and Topomer comparative molecular field analysis(Topomer CoMFA)technology are used to analyze the quantitative structure-activity relationship(QSAR)of 39 isoquinolone derivatives.The cross validation correlation coefficient(q^(2))is 0.696(Topomer CoMFA)and 0.826(HQSAR),and the non-cross validation correlation coefficient(r^(2))is 0.935(Topomer CoMFA)and 0.987(HQSAR).The results showed that the models have good stability and predictive ability.The Topomer search module was applied to define high contribution fragments in the ZINC database,designing 20 new isoquinolone compounds with theoretically high inhibitory activity.The molecular docking was carried out to explore the interaction between the ligand and target JNK1 protein.This study can provide a theoretical basis for the design of new JNK1 inhibitors. 展开更多
关键词 Topomer CoMFA HQSAR molecular docking isoquinolone derivatives molecular design
原文传递
上一页 1 下一页 到第
使用帮助 返回顶部