Identification of dequalinium as a potent inhibitor of human organic cation transporter 2 by machine learning based QSAR model

Identification of dequalinium as a potent inhibitor of human organic cation transporter 2 by machine learning based QSAR model

Abstract Human organic cation transporter 2 (hOCT2/SLC22A2) is a key drug transporter that facilitates the transport of endogenous and exogenous organic cations. Because hOCT2 is responsible for the development of adverse effects caused by platinum-based anti-cancer agents, drugs with OCT2 inhibitor...

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Bibliographic Details
Main Authors: Fumihiro Yamane, Kenji Ikemura, Masayoshi Kondo, Manami Ueno, Masahiro Okuda
Format: Article
Language:English
Published: Nature Portfolio 2025-01-01
Series:Scientific Reports
Subjects:
Dequalinium
Drug repositioning
Machine learning
Organic cation transporter 2
Quantitative structure-activity relationship
Online Access:https://doi.org/10.1038/s41598-024-79377-0
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https://doi.org/10.1038/s41598-024-79377-0

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