Spectroscopic and In Silico DNA Binding Studies on the Interaction of Some New N-Substituted Rhodanines with Calf-thymus DNA: In Vitro Anticancer Activities

Author(s): Imran Ali* , Mohammad N. Lone , Zeid A. Alothman , Ahmad Y. Badjah , Abdullah G. Alanazi .

Journal Name: Anti-Cancer Agents in Medicinal Chemistry

Volume 19 , Issue 3 , 2019

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Abstract:

Background: In this era of science, cancer is a black dot on the face of humankind. Consequently, the search of promising anticancer agents continues.

Aims: Here we designed and synthesized new N-substituted rhodanines (RD1-7), evaluated their multispectroscopic interaction with calf thymus DNA, in silico and anticancer studies against MDA-MB-231cancer cell line.

Methods: By MTT assay rhodanine RD1 was found to be the most potent with IC50 value of 72.61 μM. In addition, DNA binding studies (UV-vis and fluorescence) revealed strong binding affinity of RD1-7 with DNA (Kb in the range of 1.5-7.4 × 105 M-1). Moreover, molecular docking study, experimental DNA binding and anticancer studies are all well agreed to each other.

Results: It was observed that H-bonding and hydrophobic attractions were responsible for stability of DNAcompound adducts. Besides, the reported rhodanines (RD1-7) were found as minor groove binders of DNA. Concisely, RD1-7 indicated promising pharmacological properties and hence, shows auspicious future for the development of novel anticancer agents.

Conclusion: The reported rhodanines showed excellent anticancer properties. Therefore, the described rhodanines may be used as potential anticancer agents in the future.

Keywords: Anticancer activity, Ct-DNA binding studies, molecular docking, rhodanines, Calf-thymus DNA, N-substituted rhodanines.

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VOLUME: 19
ISSUE: 3
Year: 2019
Page: [425 - 433]
Pages: 9
DOI: 10.2174/1871520618666181002131125
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