Novel DNA topoisomerase IIα inhibitors from combined ligand- and structure-based virtual screening

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An optimized polyamine moiety boosts the potency of human type II topoisomerase poisons as quantified by comparative analysis centered on the clinical candidate F14512.Switchable highly regioselective synthesis of 3,4-dihydroquinoxalin-2(1H)ones from o-phenylenediamines and aroylpyruvates.

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Novel DNA topoisomerase IIα inhibitors from combined ligand- and structure-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Novel DNA topoisomerase IIα in ...... ucture-based virtual screening

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Jessica Marinello

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Laurence P G Wakelin

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Malgorzata N Drwal

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Renate Griffith

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Stefano G Manzo

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P2860

Cellular roles of dna topoisomerases: a molecular perspective

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Structural basis of type II topoisomerase inhibition by the anticancer drug etoposide

The Structure of DNA-Bound Human Topoisomerase II Alpha: Conformational Mechanisms for Coordinating Inter-Subunit Interactions with DNA Cleavage

On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs

Comparative protein modelling by satisfaction of spatial restraints

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Development and validation of a genetic algorithm for flexible docking

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e114904

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scholarly article

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10.1371/JOURNAL.PONE.0114904

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English

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Giovanni Capranico

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2014-01-01T00:00:00Z

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269721498

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25489853

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Novel DNA topoisomerase IIα inhibitors from combined ligand- and structure-based virtual screening

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P2860

P2860

Novel DNA topoisomerase IIα inhibitors from combined ligand- and structure-based virtual screening

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