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Current Chinese Chemistry

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ISSN (Print): 2666-0016
ISSN (Online): 2666-0008

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Research Article

Molecular Modelling, Synthesis and Biological Evaluation of Novel Benzimidazole Derivatives for the Treatment of Breast Cancer

Author(s): Ishan Panchal*, Animesh G. Devgirkar, Ashish D. Patel, Afzal Nagani and Chaitali Lad

Volume 1, Issue 1, 2021

Published on: 21 January, 2020

Page: [11 - 20] Pages: 10

DOI: 10.2174/2666001601666200121163605

Abstract

Background: The treatment of cancer requires scientific advancement. ATP-competitive mTOR inhibitors have been studied as potential antitumor agents.

Objective: A series of substituted benzimidazole compounds were designed, synthesized and characterized via introducing 2-chloroquinolin into 2nd position and most title compounds exhibited enhanced anticancer activities.

Methods: To study the anticancer mechanism, VIa-VIh was successfully docked by iGEMDOCK 2.0 which gives good affinity towards m-TOR/PI3K dual inhibitors. The anti-proliferative activities of these compounds were evaluated on MCF-7 and A549 cell line for Breast and lung cancer, respectively.

Results: 2-(2-chloroquinolin-3-yl)-1H-benzoimidazol-1-yl)(phenyl)methanone (VIa) exhibited significant anti-proliferative activity, especially against breast cancer (IC50 197 μM) for MCF7 cell line and (2-(2- chloroquinolin-3-yl)-1H-benzo[d]imidazol-1-yl)(4-nitrophenyl)methanone (VIc) was significantly active against lung cancer (IC50 89 μM) for A579 cell line.

Conclusion: VIa gives more activity on breast cancer and it gives IC50 197 μM for MCF7 cell line and (2- (2-chloroquinolin-3-yl)-1H-benzo[d]imidazol-1-yl) (4-nitrophenyl) methanone (VIc) lung cancer IC50 89 μM for A579 cell line.

Keywords: Benzimidazole derivatives, molecular modelling, biological evaluation breast cancer, anticancer, 2-chloroquinolin, MCF7 cell line.

Graphical Abstract

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