ArticleMolecular diversity2021
Prediction model of human ABCC2/MRP2 efflux pump inhibitors: a QSAR study.
Article in Molecular diversity, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Identification of efflux pump inhibitors for Pseudomonas aeruginosa MexAB-OprM via ligand-based pharmacophores, 2D-QSAR, molecular docking, and molecular dynamics approaches.Molecular diversity · 2024Article
- Literature review and report of three cases of Dubin-Johnson syndrome related to ABCC2 gene mutations in children.American journal of translational research · 2021Article
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Authors and funding
5 authors.
Funding
Abstract
The overexpression of ABCC2/MRP2, an ATP-binding cassette transporter, contributes to multidrug resistance in cancer cells. In this study, a quantitative structure-activity relationship (QSAR) analysis on ABCC2 inhibitors has been carried out, aiming to establish a computational prediction model for ABCC2 modulators. Seven classification models and two regression models were built by SONNIA 4.2, and two other regression models were built by MOE 2008.10 based on a data set comprising 372 compounds collected from 16 relevant publications. The CPG-C iABCC2 model for classifying ABCC2 inhibitors has total accuracy of 0.88 and Matthews correlation coefficient MCC = 0.75. The CPG-C iEG model for classifying ABCC2 inhibitors (substrate EG: β-estradiol 17-β-D-glucuronide) has total accuracy of 0.91 and MCC = 0.82. The regression model PLS EG-IC
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