Assessment of in vivo organ-uptake and in silico prediction of CYP mediated metabolism of DA-Phen, a new dopaminergic agent

Computational Biology and Chemistry(2017)

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摘要
•After i.p. administration DA-Phen recovery from Wistar rats’ organs has been determined.•DA-Phen quantified in rats' brain proves its ability to cross BBB and reach the CNS.•SMARTCyp predicts six sites of lysis for DA-Phen but none concerns the amide bond.•DA-Phen acts as dopaminergic modulator per se, not as a Dopamine prodrug.
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关键词
Brain homogenate analysis,Organ uptake,Da-Phen,SMARTCyp prediction,in silico metabolism prediction
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