Combinatorial Pharmacophore Modeling of Multidrug and Toxin Extrusion Transporter 1 Inhibitors: a Theoretical Perspective for Understanding Multiple Inhibitory Mechanisms

A combinatorial pharmacophore (CP) model for Multidrug and toxin extrusion 1 (MATE1/SLC47A1) inhibitors was developed based on a data set including 881 compounds. The CP model comprises four individual pharmacophore hypotheses, HHR1, DRR, HHR2 and AAAP, which can successfully identify the MATE1 inhi...

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Detalhes bibliográficos
Publicado no:Sci Rep
Main Authors: Xu, Yuan, Liu, Xian, Wang, Yulan, Zhou, Nannan, Peng, Jianlong, Gong, Likun, Ren, Jing, Luo, Cheng, Luo, Xiaomin, Jiang, Hualiang, Chen, Kaixian, Zheng, Mingyue
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group 2015
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4556958/
https://ncbi.nlm.nih.gov/pubmed/26330298
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep13684
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