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- W2565882918 abstract "Aim: Simultaneous inhibition of VEGFR2 and Src may enhance the efficacy of VEGFR2-targeted cancer therapeutics. Hence, development of dual inhibitors on VEGFR2 and Src can be a useful strategy for such treatments. Materials & methods: A multistep virtual screening protocol, comprising ligand-based support vector machines method, drug-likeness rules filter and structure-based molecular docking, was developed and employed to identify dual inhibitors of VEGFR2 and Src from a large commercial chemical library. Kinase inhibitory assays and cell viability assays were then used for experimental validation. Results: A set of compounds belonging to six different molecular scaffolds was identified and sent for biological evaluation. Compound 3c belonging to the 2-amino-3-cyanopyridine scaffold exhibited good antiproliferative effect and dual-target activities against VEGFR2 and Src. Conclusion: This study demonstrated the ability of the multistep virtual screening approach to identify novel multitarget agents." @default.
- W2565882918 created "2017-01-06" @default.
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- W2565882918 date "2017-01-01" @default.
- W2565882918 modified "2023-09-30" @default.
- W2565882918 title "Discovery of novel dual VEGFR2 and Src inhibitors using a multistep virtual screening approach" @default.
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- W2565882918 doi "https://doi.org/10.4155/fmc-2016-0162" @default.
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