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In silico pharmacokinetics (ADME) and toxicological properties
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The structures of synthesized compounds were changed to their canonical simplified molecular input line entry system (SMILES) then submitted to SwissADME tool to estimate in silico pharmacokinetic parameters and other molecular properties based on the methodology reported by Daina et al. and Lipinski [21, 22]. The organ toxicities and toxicological endpoints of the isolated compounds were predicted using PreADMET and OSIRIS Properties. The results were then compared with vosaroxin used as standard clinical drug.
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