SuperNatural inhibitors to reverse multidrug resistance emerged by ABCB1 transporter: Database mining, lipid-mediated molecular dynamics, and pharmacokinetics study

An effective approach to reverse multidrug resistance (MDR) is P-glycoprotein (P-gp, ABCB1) transport inhibition. To identify such molecular regulators, the SuperNatural II database, which comprises > 326,000 compounds, was virtually screened for ABCB1 transporter inhibitors. The Lipinski rule wa...

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Detalles Bibliográficos
Autores principales: Ibrahim, Mahmoud A. A., Abdeljawaad, Khlood A. A., Abdelrahman, Alaa H. M., Abdelhamid, Mahmoud M. H., Naeem, Mohamed Ahmed, Mekhemer, Gamal A. H., Sidhom, Peter A., Sayed, Shaban R. M., Paré, Paul W., Hegazy, Mohamed-Elamir F.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10370898/
https://www.ncbi.nlm.nih.gov/pubmed/37494356
http://dx.doi.org/10.1371/journal.pone.0288919

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