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ISSN 2063-5346
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Febrifugine and Glycosminine as potential VEGFR-2 Kinase inhibitors for the treatment of Cancer: In depth in silico exploration

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Rita D. Chakole, Manoj S. Charde, Nilima N. Khakal, Indrajeet D. Gonjari
» doi: 10.48047/ecb/2022.11.11.28

Abstract

Febrifugine and Glycosminine, a quinazolinone alkaloid, was initially discovered in the Chinese herb Dichroa febrifuga. These Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) kinase inhibitors have been found to effectively suppress the process of angiogenesis or lymphangiogenesis, thereby exhibiting notable anticancer properties. In the current study, we have chosen two naturally occurring compounds, Febrifugine and Glycosminine, as the focus of investigation. The objective is to assess their potential as inhibitors of VEGFR-2 kinase activity. In depth ADMET analysis of these compounds were done to assess their drug-likeness properties. Fro in silico ADMET analysis it was concluded that these compounds possess most favorable drug-likeness properties and can be treated as lead molecules for further analysis by molecular docking. From molecular docking it was observed that both the compounds formed more stable complex than native ligand. Both the compounds displayed formation of 2-3 conventional hydrogen bonds which indicates they has potential to modulate the activity of target enzyme. These compounds can be tested further using in vitro and in vivo models for VEGFR-2 kinase activity.

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