In Vitro and InSilico Evaluation of 2-(1H-Benzo[d]imidazol-2-yl)-3-(4-(piperazin-1-yl)phenyl)propanenitrile as Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitors

Objective: Advanced cancer treatment is based on targeted therapy, providing greater precision while mitigating common drug toxicity and resistance. Recently, protein kinases have gained prominence as valuable subjects for cancer therapy. Methods: To investigate the anticancer potential of benzimida...

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Published inRussian journal of bioorganic chemistry Vol. 50; no. 4; pp. 1563 - 1572
Main Authors Sarita, K., Kumar, N., Agrawal, A., Mali, S. N., Sharma, S.
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 01.08.2024
Springer Nature B.V
Subjects
Anticancer properties
Biochemistry
Biomedical and Life Sciences
Biomedicine
Bioorganic Chemistry
Cancer
Epidermal growth factor
Growth factors
Kinases
Life Sciences
Melting points
Molecular docking
Nitriles
NMR
Nuclear magnetic resonance
Organic Chemistry
Receptors
Tyrosine
5-fluorouraci
benzimidazole
molecular docking
anticancer
SRB assay
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Summary:Objective: Advanced cancer treatment is based on targeted therapy, providing greater precision while mitigating common drug toxicity and resistance. Recently, protein kinases have gained prominence as valuable subjects for cancer therapy. Methods: To investigate the anticancer potential of benzimidazole analogues, various derivatives of 2-(1H-benzimidazol-2-yl)-3-(4-(4-substituted-piperazin-1-yl)phenyl)propane nitriles ( IIa–IIj ) were synthesized. All the synthesized analogues were characterized through TLC, melting points, FT-IR, 1 H NMR, 13 C, and mass spectroscopy. The anticancer potential of synthesized analogues was determined through the sulforhodamine B (SRB) assay against lung carcinoma cell lines (A549) and % growth inhibition was determined using Dalton’s lymphoma ascites cells. A molecular docking study was performed against epidermal growth factor receptor tyrosine kinase (a selective target for inhibitors of cancer) to illustrate the binding modes of ligands in the EGFR target. Results and Discussion: In vitro cytotoxic studies revealed that derivatives ( IIh ) and ( IIa ) showed promising anticancer activity. Conclusions: It is concluded from in vitro and in silico studies that compound ( IIh ) showed significant a significant anticancer activity.
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ISSN:1068-1620
1608-330X
DOI:10.1134/S1068162024040174