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- W2370449812 abstract "Dihydroindazolocarbazoles(DHI-carbazoles) are the potent dual inhibitors to VEGFR2 and Tie-2.In this work,the mechanism of interaction between VEGFR2/Tie-2 and DHI-carbazoles was performed with Surflex-dock.The results from molecular docking indicated that DHI-carbazoles competitively bound to the active site,which was the substrate ATP in VEGFR2/Tie-2 with high affinity.The differences of activity between VEGFR2 and Tie-2 resulted from the minor difference of active pockets.Hydrophobic effect played a key role in the formation and stability.Hydrogen bond and electrostatic effect also contributed to the difference.This work elucidated the antitumor mechanism of the DHI-carbazoles as a dual potent inhibitor and provided theoretical basis for the design of tyrosine kinase inhibitors." @default.
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- W2370449812 date "2012-03-25" @default.
- W2370449812 modified "2023-09-23" @default.
- W2370449812 title "Studies on Interactions between Tie-2/VEGFR2 and Dihydroindazolocarbazole Dual Inhibitors via Molecular Docking" @default.
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