Study on Antitumor Mechanism of Quercetin based on Molecular Reverse Docking Method
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Study on Antitumor Mechanism of Quercetin based on Molecular Reverse Docking Method
Chinese Journal of Experimental Traditional Medical FormulaeVol. 18, Issue 23, Pages: 145-148(2012)
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Published:2012
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ZHANG Ming-bo, LI Li, SUN Yan-tao, et al. Study on Antitumor Mechanism of Quercetin based on Molecular Reverse Docking Method[J]. Chinese journal of experimental traditional medical formulae, 2012, 18(23): 145-148.
DOI:
ZHANG Ming-bo, LI Li, SUN Yan-tao, et al. Study on Antitumor Mechanism of Quercetin based on Molecular Reverse Docking Method[J]. Chinese journal of experimental traditional medical formulae, 2012, 18(23): 145-148.DOI:
Study on Antitumor Mechanism of Quercetin based on Molecular Reverse Docking Method
Objective: To investigate the target and molecular mechanism for the antitumor action of quercetin. Method: Using Autodock Vina software
dock quercetin with 91 antitumor targets; analyze the binding mode of quercetin with the targets. Result: Quercetin shows high affinity to many antitumor targets. There are 8 targets with binding free energy to quercetin lower than-9.0 kcal·mol-1. Conclusion: Quercetin exerts antitumor action by inhibiting the activity of human neutrophil collagenase(MMP-8)
dihydroorotate dehydrogenase
dihydrofolate reductase
thymidylate synthase as well as several protein kinases.