Exploring the dynamics of the ABCB1 membrane transporter P-glycoprotein in the presence of ATP and active/non-active compounds through molecular dynamics simulations-Reference-Cited by-同舟云学术

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Exploring the dynamics of the ABCB1 membrane transporter P-glycoprotein in the presence of ATP and active/non-active compounds through molecular dynamics simulations

Published:2024-02 Issue: Volume:502 Page:153732
ISSN:0300-483X
Container-title:Toxicology
language:en
Short-container-title:Toxicology

Author:

Mora Lagares Liadys,Pérez-Castillo Yunierkis,Novič Marjana

Funder

EU Framework Programme for Research and Innovation Marie Sklodowska-Curie Actions

Center for Advancing Research Impact in Society

Javna Agencija za Raziskovalno Dejavnost RS

Publisher

Elsevier BV

Reference47 articles.

1. Structural insight into substrate and inhibitor discrimination by human P-glycoprotein;Alam;Science,2019

2. P-glycoprotein: from genomics to mechanism;Ambudkar;Oncogene,2003

3. ProDy: protein dynamics inferred from theory and experiments;Bakan;Bioinformatics,2011

4. Valproic acid is not a substrate for P-glycoprotein or multidrug resistance proteins 1 and 2 in a number of in vitro and in vivo transport assays;Baltes;J. Pharmacol. Exp. Ther.,2007

5. AMBER;Case,2018

Cited by 1 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Mechanistic insights into P-glycoprotein ligand transport and inhibition revealed by enhanced molecular dynamics simulations;Computational and Structural Biotechnology Journal;2024-12

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