scholarly journals 3D-QSAR analysis of pyrimidine derivatives as AXL kinase inhibitors as anticancer agents

2018 ◽  
Vol 8 (11) ◽  
pp. 15-27 ◽  
Keyword(s):  
Anticancer Agents ◽  
Kinase Inhibitors ◽  
3D Qsar ◽  
Pyrimidine Derivatives ◽  
Qsar Analysis

Synthesis and anticancer activity of some pyrido[2,3-d]pyrimidine derivatives as apoptosis inducers and cyclin-dependent kinase inhibitors

2019 ◽  
Vol 11 (18) ◽  
pp. 2395-2414 ◽  
Author(s):  
Safinaz E-S Abbas ◽  
Riham F George ◽  
Eman M Samir ◽  
Mostafa MA Aref ◽  
Hatem A Abdel-Aziz
Keyword(s):  
Cell Cycle ◽  
Anticancer Agents ◽  
Kinase Inhibitors ◽  
Cytotoxic Agents ◽  
Cyclin Dependent Kinase ◽  
Apoptosis Induction ◽  
Pyrimidine Derivatives ◽  
Induced Apoptosis ◽  
Emergence Of Resistance ◽  
Mcf 7

Aim: Due to emergence of resistance to available anticancer agents, there is a need to search for new cytotoxic agents. Methods: Pyrido[2,3- d]pyrimidines (4–6) and their tricyclic derivatives (7–13) were prepared and screened for their cytotoxicity against breast MCF-7, prostate PC-3 and lung A-549 cancer cell lines as well as normal fibroblasts WI-38. Results: The most active compounds were 6b, 6e and 8d compared with doxorubicin. Moreover, compounds 6b and 8d induced apoptosis in PC-3 and MCF-7, respectively via activation of CASP3 (in PC-3 only), Bax, p53 and down regulation of Bcl2 in addition to CDK4/6 inhibition. Conclusion: Pyrido[2,3- d]pyrimidine represents an important core for discovery of new potent cytotoxic agents acting on the cell cycle via apoptosis induction through either intrinsic or extrinsic pathways.

Combination of pharmacophore modeling and 3D-QSAR analysis of potential glyoxalase-I inhibitors as anticancer agents

2019 ◽  
Vol 80 ◽  
pp. 102-110 ◽  
Author(s):  
Mahmoud A. Al-Sha'er ◽  
Qosay A. Al-Balas ◽  
Mohammad A. Hassan ◽  
Ghazi A. Al Jabal ◽  
Ammar M. Almaaytah
Keyword(s):  
Anticancer Agents ◽  
3D Qsar ◽  
Pharmacophore Modeling ◽  
Glyoxalase I ◽  
Qsar Analysis

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

3D-QSAR Analysis on ATR Protein Kinase Inhibitors Using CoMFA and CoMSIA

2015 ◽  
Vol 10 (4) ◽  
pp. 327-334
Author(s):  
Xiurong Li ◽  
Mao Shu ◽  
Yuanqiang Wang ◽  
Rui Yu ◽  
Shuang Yao ◽  
...  
Keyword(s):  
Protein Kinase ◽  
Kinase Inhibitors ◽  
3D Qsar ◽  
Protein Kinase Inhibitors ◽  
Qsar Analysis

scholarly journals Synthetic Strategies of Pyrimidine-Based Scaffolds as Aurora Kinase and Polo-like Kinase Inhibitors

Molecules ◽  
2021 ◽  
Vol 26 (17) ◽  
pp. 5170
Author(s):  
Mrunal Jadhav ◽  
Kaksha Sankhe ◽  
Richie R. Bhandare ◽  
Zehra Edis ◽  
Samir Haj Bloukh ◽  
...  
Keyword(s):  
Small Molecules ◽  
Protein Kinases ◽  
Anticancer Drugs ◽  
Anticancer Agents ◽  
Kinase Inhibitors ◽  
Antitumor Agents ◽  
Aurora Kinase ◽  
Pyrimidine Ring ◽  
Pyrimidine Derivatives ◽  
Comprehensive Overview

The past few decades have witnessed significant progress in anticancer drug discovery. Small molecules containing heterocyclic moieties have attracted considerable interest for designing new antitumor agents. Of these, the pyrimidine ring system is found in multitude of drug structures, and being the building unit of DNA and RNA makes it an attractive scaffold for the design and development of anticancer drugs. Currently, 22 pyrimidine-containing entities are approved for clinical use as anticancer drugs by the FDA. An exhaustive literature search indicates several publications and more than 59 patents from the year 2009 onwards on pyrimidine derivatives exhibiting potent antiproliferative activity. These pyrimidine derivatives exert their activity via diverse mechanisms, one of them being inhibition of protein kinases. Aurora kinase (AURK) and polo-like kinase (PLK) are protein kinases involved in the regulation of the cell cycle. Within the numerous pyrimidine-based small molecules developed as anticancer agents, this review focuses on the pyrimidine fused heterocyclic compounds modulating the AURK and PLK proteins in different phases of clinical trials as anticancer agents. This article aims to provide a comprehensive overview of synthetic strategies for the preparation of pyrimidine derivatives and their associated biological activity on AURK/PLK. It will also present an overview of the synthesis of the heterocyclic-2-aminopyrimidine, 4-aminopyrimidine and 2,4-diaminopyrimidine scaffolds, and one of the pharmacophores in AURK/PLK inhibitors is described systematically.

2D and 3D-QSAR analysis of pyrazole-thiazolinone derivatives as EGFR kinase inhibitors by CoMFA and CoMSIA

2016 ◽  
Vol 11 (4) ◽  
pp. 292-303 ◽  
Author(s):  
Eslam Pourbasheer ◽  
Reza Aalizadeh ◽  
Hamid Shiri ◽  
Alireza Banaei ◽  
Mohammad Ganjali
Keyword(s):  
Kinase Inhibitors ◽  
3D Qsar ◽  
Qsar Analysis ◽  
2D And 3D ◽  
Egfr Kinase

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.

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