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高分辨率液相色谱和质谱(HR-LCMS)辅助的植物化学图谱分析以及使用[具体方法]和分子对接分析对[物质名称1]和[物质名称2]的抗癌活性进行评估。

High-resolution liquid chromatography and mass spectrometry (HR-LCMS) assisted phytochemical profiling and an assessment of anticancer activities of and using and molecular docking analysis.

作者信息

Salunke Mohini Anandrao, Wakure Balaji Sopanrao, Wakte Pravin Shridhar

机构信息

University Department of Chemical Technology, Dr. Babasaheb Ambedkar Marathwada University, Aurangabad, Maharashtra, India.

VDF School of Pharmacy, Vilasrao Deshmukh Foundation, Group of Institutions, Latur, Maharashtra, India.

出版信息

J Biomol Struct Dyn. 2023 Aug-Sep;41(14):6476-6491. doi: 10.1080/07391102.2022.2108495. Epub 2022 Aug 17.

Abstract

Marine algae's, owing to diverse range of secondary metabolites, opening up the new avenues in new drug development and can be used efficiently in anticancer research. Two seaweeds and are subjected to phytochemical investigation by HR-LCMS and NMR which confirms presence of different bioactive compounds. The cytotoxicity of the dichloromethane (DCM) fraction of and was determined using an methyl thiazolyl tetrazolium (MTT) test and showed considerable dose-dependent cytotoxicity on tumour cell lines. In MCF7, had an IC of 100 μg/ml, while had an IC of 200 μg/ml and both the DCM fraction had IC values of 100 μg/ml in the A549 cell line. MTT assay for anticancer activity suggest that has potent anticancer activity in both breast and lung cell lines, while the DCM fraction of has potent activity in lung cell lines and moderate activity in breast cell lines. The anticancer effects of the discovered drugs targeting the most prevalent enzymes VEGFR and AXL tyrosine kinases were confirmed using a computational technique. We believe that residues from VEGFR, like Lys868, Asn923, Asp1046, and Phe1047 and Asp690 from Axl kinase may have contributed to the plausible anti-cancer benefit seen in this study.Communicated by Ramaswamy H. Sarma.

摘要

海洋藻类由于具有多种次生代谢产物,为新药开发开辟了新途径,并可有效地用于抗癌研究。对两种海藻进行了高分辨液相色谱-质谱联用(HR-LCMS)和核磁共振(NMR)的植物化学研究,证实了不同生物活性化合物的存在。使用甲基噻唑基四氮唑(MTT)试验测定了这两种海藻二氯甲烷(DCM)馏分的细胞毒性,结果显示其对肿瘤细胞系具有显著的剂量依赖性细胞毒性。在MCF7细胞系中,一种海藻的DCM馏分的半数抑制浓度(IC)为100μg/ml,另一种为200μg/ml,而在A549细胞系中,两种海藻的DCM馏分的IC值均为100μg/ml。MTT法检测抗癌活性表明,一种海藻在乳腺癌和肺癌细胞系中均具有较强的抗癌活性,而另一种海藻的DCM馏分在肺癌细胞系中具有较强活性,在乳腺癌细胞系中具有中等活性。使用一种计算技术证实了所发现的针对最常见的酶血管内皮生长因子受体(VEGFR)和AXL酪氨酸激酶的药物的抗癌作用。我们认为,VEGFR中的残基,如赖氨酸868、天冬酰胺923、天冬氨酸1046和苯丙氨酸1047以及Axl激酶中的天冬氨酸690,可能促成了本研究中所观察到的可能的抗癌益处。由拉马斯瓦米·H·萨尔马传达。

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