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探索苯并呋喃-恶二唑和三唑的协同抗癌潜力:基于呋喃的分子的超声和微波辅助合成的改进、分子对接、溶血、溶栓和抗癌评估。

Exploring the Synergistic Anticancer Potential of Benzofuran-Oxadiazoles and Triazoles: Improved Ultrasound- and Microwave-Assisted Synthesis, Molecular Docking, Hemolytic, Thrombolytic and Anticancer Evaluation of Furan-Based Molecules.

机构信息

Department of Chemistry, Government College University Faisalabad, Faisalabad 38000, Pakistan.

Department of Zoology, Government College University Faisalabad, Faisalabad 38000, Pakistan.

出版信息

Molecules. 2022 Feb 2;27(3):1023. doi: 10.3390/molecules27031023.

Abstract

Ultrasound- and microwave-assisted green synthetic strategies were applied to furnish benzofuran-oxadiazole - and benzofuran-triazole - derivatives in good to excellent yields (60-96%), in comparison with conventional methods (36-80% yield). These synthesized derivatives were screened for hemolysis, thrombolysis and anticancer therapeutic potential against an A549 lung cancer cell line using an MTT assay. Derivatives (0.1%) and (0.5%) showed the least toxicity against RBCs. Hybrid showed excellent thrombolysis activity (61.4%) when compared against reference ABTS. The highest anticancer activity was displayed by the structural hybridwith cell viability 27.49 ± 1.90 and IC 6.3 ± 0.7 μM values, which were considerably lower than the reference drug crizotinib (IC 8.54 ± 0.84 μM). Conformational analysis revealed the spatial arrangement of compound , which demonstrated its significant potency in comparison with crizotinib; therefore, scaffold would be a promising anticancer agent on the basis of cytotoxicity studies, as well as in silico modeling studies.

摘要

超声和微波辅助绿色合成策略被应用于提供苯并呋喃-恶二唑-和苯并呋喃-三唑-衍生物,产率良好至优秀(60-96%),与传统方法(36-80%产率)相比。这些合成的衍生物通过 MTT 测定法筛选了溶血、溶栓和抗肺癌 A549 细胞系的抗癌治疗潜力。衍生物(0.1%)和(0.5%)对 RBC 的毒性最小。与对照 ABTS 相比,杂种显示出优异的溶栓活性(61.4%)。最高的抗癌活性由结构杂种显示,细胞活力为 27.49±1.90,IC 6.3±0.7μM 值,明显低于对照药物克唑替尼(IC 8.54±0.84μM)。构象分析揭示了化合物的空间排列,与克唑替尼相比,其显示出显著的效力;因此,基于细胞毒性研究和计算机建模研究,支架将是一种有前途的抗癌剂。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e062/8838991/b79109476b06/molecules-27-01023-g001.jpg

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