EGFR/HER-2 inhibitors: synthesis, biological evaluation and 3D-QSAR analysis of dihydropyridine-containing thiazolinone derivatives

RSC Advances ◽  
2015 ◽  
Vol 5 (28) ◽  
pp. 21445-21454 ◽  
Author(s):  
Yu-Jia Ren ◽  
Zhong-Chang Wang ◽  
Xin Zhang ◽  
Han-Yue Qiu ◽  
Peng-Fei Wang ◽  
...  
Keyword(s):  
Tumor Cell ◽  
Kinase Inhibitors ◽  
Biological Activities ◽  
3D Qsar ◽  
Biological Evaluation ◽  
Qsar Analysis ◽  
Her 2

A series of dihydropyridin containing thiazolinone derivatives (4a–4r) have been designed, synthesized and their biological activities were also evaluated as potential EGFR and HER-2 kinase inhibitors and tumor cell antiproliferation.

ChemInform Abstract: EGFR/HER-2 Inhibitors: Synthesis, Biological Evaluation and 3D-QSAR Analysis of Dihydropyridine-Containing Thiazolinone Derivatives.

ChemInform ◽  
2015 ◽  
Vol 46 (30) ◽  
pp. no-no
Author(s):  
Yu-Jia Ren ◽  
Zhong-Chang Wang ◽  
Xin Zhang ◽  
Han-Yue Qiu ◽  
Peng-Fei Wang ◽  
...  
Keyword(s):  
3D Qsar ◽  
Biological Evaluation ◽  
Qsar Analysis ◽  
Her 2

Design, synthesis, biological evaluation, and 3D-QSAR analysis of podophyllotoxin-dioxazole combination as tubulin targeting anticancer agents

2017 ◽  
Vol 90 (2) ◽  
pp. 236-243 ◽  
Author(s):  
Zi-Zhen Wang ◽  
Wen-Xue Sun ◽  
Xue Wang ◽  
Ya-Han Zhang ◽  
Han-Yue Qiu ◽  
...  
Keyword(s):  
Anticancer Agents ◽  
3D Qsar ◽  
Biological Evaluation ◽  
Design Synthesis ◽  
Qsar Analysis

Synthesis and Biological Evaluation of New Piperazine Substituted 3, 5-Diarylisoxazolines

2019 ◽  
Vol 16 (2) ◽  
pp. 294-302 ◽  
Author(s):  
Hui Gao ◽  
Bei Liu ◽  
Ping Zhu ◽  
Li-Jun Zhang ◽  
Chun-Ping Wan ◽  
...  
Keyword(s):  
Tumor Cell ◽  
Cell Lines ◽  
Anticancer Agents ◽  
Biological Activities ◽  
Human Tumor ◽  
Biological Evaluation ◽  
Tumor Cell Lines ◽  
Human Tumor Cell ◽  
Human Tumor Cell Lines

Aim and Objective: Isoxazolines are an important class of nitrogen and oxygen-containing heterocycles, which have gained much importance as the potential biological agents. In order to study structureactivity relationships of isoxazolines, this work has been conducted. Materials and Methods: A series of new piperazine substituted 3, 5-diarylisoxazoline derivatives (6-31) were designed and synthesized, and in vitro anti-inflammatory activity in lipopolysaccharide (LPS)-stimulated RAW-264.7 macrophages and anticancer effect against a panel of human tumor cell lines (Hela, A549 and SGC7901) by MTT assay were evaluated. Results: The substituents of the NH group of piperazine ring had an obvious influence on biological activities. Especially, compounds 5, 7, 8, 10, 11, 13 and 27-showed good inhibitory effect on the generation of NO compared to dexamethasone. Furthermore, derivatives 5, 6, 7, 8, 9, 13 and 26 were found to be potential selectively anticancer activity on human tumor cell lines, which displayed better cytotoxic activity to positive control 5- FU. Conclusion: Piperazine substituted 3, 5-diarylisoxazoline derivatives could be considered as new antiinflammatory and anticancer agents.

scholarly journals Docking and 3D QSAR Studies on p38α MAP Kinase Inhibitors

2011 ◽  
Vol 8 (4) ◽  
pp. 1596-1605
Author(s):  
Mohan Babu Jatavath ◽  
Sree Kanth Sivan ◽  
Yamini Lingala ◽  
Vijjulatha Manga
Keyword(s):  
Map Kinase ◽  
Kinase Inhibitors ◽  
Inflammatory Diseases ◽  
Biological Activities ◽  
Three Dimensional ◽  
3D Qsar ◽  
Qsar Model ◽  
Chemotherapeutic Agents ◽  
Field Analysis ◽  
Qsar Studies

The p38 signaling cascade has emerged as an attractive target for the design of novel chemotherapeutic agents for the treatment of inflammatory diseases. Three dimensional quantitative structure- activity relationship (3D- QSAR) studies were performed on a series of 25, 2-aminothiazole analogs as inhibitors of p38α mitogen activated protein (MAP) kinase. The docking results provided a reliable conformational alignment scheme for the 3D-QSAR model. The 3D-QSAR model showed very good statistical results namely q2, r2and r2predvalues for both comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA). The CoMFA and CoMSIA models & docking results provided the most significant correlation of steric, electrostatic, hydrophobic,H-bond donor,H-bond acceptor fields with biological activities and the provided values were in good agreement with the experimental results. The information rendered from molecular modeling studies gave valuable clues to optimize the lead and design new potential inhibitors.

Novel Resveratrol-chalcone Derivatives: Synthesis and Biological Evaluation

2019 ◽  
Vol 19 (5) ◽  
pp. 424-436 ◽  
Author(s):  
Yulu Ma ◽  
Xi Zheng ◽  
Ping Zhu ◽  
Bei Liu ◽  
Hui Gao ◽  
...  
Keyword(s):  
Tumor Cell ◽  
Cell Lines ◽  
Biological Activities ◽  
Human Tumor ◽  
Biological Evaluation ◽  
Tumor Cell Lines ◽  
Human Tumor Cell ◽  
Human Tumor Cell Lines ◽  
Proliferative Effect ◽  
Anti Inflammatory

Introduction: Resveratrol and chalcones are lead compounds with good biological activities. </P><P> Method: In this study, a series of novel derivatives (6-38) between resveratrol and chalcone possessing piperazine moiety have been synthesized, and in vitro anti-inflammatory activity in lipopolysaccharide (LPS)-stimulated RAW-264.7 macrophages and anti-proliferative effect on a panel of human tumor cell lines (Hela, A549 and SGC7901) by MTT assay were evaluated. </P><P> Result: The results demonstrated that the substituents of the NH group of piperazine ring had an obvious influence on biological activities. Especially, compounds 13, 17, 30, 31 and 36 showed good inhibitory effect on the generation of NO compared to dexamethasone. Furthermore, analogs 20, 21, 22 and 25 were found to be the better anti-proliferative effect on 3 human tumor cell lines, which were found to be a better cytotoxic activity to positive control 5-FU. Many compounds displayed low cytotoxic effect on normal cells L02. </P><P> Conclusion: Further FACs analysis showed that compounds 20 and 25 significantly induced apoptosis in A549 cell. These derivatives were considered as the potential anti-inflammatory and anti-tumor agents.

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