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Fingerprint-based in silico models for the prediction of P-glycoprotein substrates and inhibitors

P-Glycoprotein (P-gp, ABCB1) plays a significant role in determining the ADMET properties of drugs and drug candidates. Substrates of P-gp are not only subject to multidrug resistance (MDR) in tumor therapy, they are also associated with poor pharmacokinetic profiles. In contrast, inhibitors of P-gp...

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Autors principals: Poongavanam, Vasanthanathan, Haider, Norbert, Ecker, Gerhard F.
Format: Artigo
Idioma:Inglês
Publicat: Elsevier Science 2012
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3445814/
https://ncbi.nlm.nih.gov/pubmed/22595422
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmc.2012.03.045
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