Synthesis and Anti‐Proliferation Activity Evaluation of Novel 2‐Chloroquinazoline as Potential EGFR‐TK Inhibitors

Zheng, Qingdong; Xu, Xuan-Bo; Jin, Hao; Zhang, Wen; Rao, Guo‐Wu

doi:10.1002/cbdv.202100478

Cited by 2 publications

(1 citation statement)

References 35 publications

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“…In vitro evaluation of the antitumor activities of the target compounds against MCF-7, HepG2 and SGC cell lines could be seen in the literature. [20] Target tumor cells were grown to log stage in DMEM medium supplemented with 10 % fetal bovine serum. After the medium was diluted to 1 × 10 5 cells mL À 1 , 90 μL of cell suspension was added to each well of the 96-well culture plates.…”

Section: Cancer Cell Antiproliferative Assaymentioning

confidence: 99%

Design, Synthesis and Molecular Docking of Novel Quinazolinone Hydrazide Derivatives as EGFR Inhibitors

Fang

Zhang

Chen

et al. 2022

Chemistry & Biodiversity

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A series of novel quinazolinone hydrazide derivatives were designed and synthesized as EGFR inhibitors. The results indicated that most of the aimed compounds had potential anti‐tumor cell proliferation and EGFR inhibitory activities. In the comprehensive analysis of all the tested compounds, the target compound 9c showed the best anti‐tumor cell proliferation activity, (IC50=1.31 μM for MCF‐7, IC50=1.89 μM for HepG2, IC50=2.10 μM for SGC), and IC50=0.59 μM for the EGFR inhibitory activity. Docking results showed that compound 9c could ideally insert the active site and interact with the critical amino acid residues (Val702, Lys721, Met769, Asp831) in the active site.

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Section: Cancer Cell Antiproliferative Assaymentioning

confidence: 99%

Design, Synthesis and Molecular Docking of Novel Quinazolinone Hydrazide Derivatives as EGFR Inhibitors

Fang

Zhang

Chen

et al. 2022

Chemistry & Biodiversity

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Design and Synthesis of Gefitinib Derivatives as Potential Drugs fo r Cancer Treatment: Antiproliferative Activity, Molecular Docking, and ADMET Prediction

Min

2024

LDDD

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Background: Non-small cell lung cancer is one of the most common cancers worldwide, and targeted chemotherapy has become a kind of the main treatment. Gefitinib, the most widely studied targeted agent in non-small cell lung cancer, is an orally active tyrosine kinase inhibitor. However, gefitinib inevitably generates acquired drug resistance, leading to treatment failure. Objective: A new class of compounds containing 4-anilinoquinazoline lead structure was designed and synthesized by modifying the structure of gefitinib. These compounds are expected to exert better anticancer activity and better binding to the EGFR-TK domain, enrich the structure of 4-anilinoquinazoline derivatives and inspire further structural modifications. Method: The antiproliferative activity of nine derivatives was determined in three cancer cell lines (A549, PC9, and HepG2) using the MTT method. The ADMET profile of all compounds was predicted, and the binding affinity of the compounds (5 and 6) to EGFR was predicted by Schrödinger. In addition, the effect of these compounds (3-6) in inducing apoptosis in HepG2 cells was also studied. Results: Four (3, 5, 6 and 9) of the newly synthesized derivatives exhibited superior antiproliferative activity against A549 to gefitinib (IC50 = 12.64 ± 3.59 μM), with compound 5 having the best activity (IC50 = 7.39 ± 1.24 μM). Moreover, the ability of compounds (3-6) to induce HepG2 cell apoptosis was significantly better than that of gefitinib. Conclusion: Nine structures (compounds 2-10) were synthesized and characterized, and compound 5 had the best antiproliferative activity. Compound 3 possessed the best ability to induce HepG2 apoptosis. Also, ADMET calculations were performed in silico, and the results revealed that compound 3 has more suitable characteristics as a potential drug candidate.

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Synthesis and Anti‐Proliferation Activity Evaluation of Novel 2‐Chloroquinazoline as Potential EGFR‐TK Inhibitors

Cited by 2 publications

References 35 publications

Design, Synthesis and Molecular Docking of Novel Quinazolinone Hydrazide Derivatives as EGFR Inhibitors

Design, Synthesis and Molecular Docking of Novel Quinazolinone Hydrazide Derivatives as EGFR Inhibitors

Design and Synthesis of Gefitinib Derivatives as Potential Drugs fo r Cancer Treatment: Antiproliferative Activity, Molecular Docking, and ADMET Prediction

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