Discovery of novel dual adenosine A1/A2A receptor antagonists using deep learning, pharmacophore modeling and molecular docking.

Adenosine receptors (ARs) have been demonstrated to be potential therapeutic targets against Parkinson's disease (PD). In the present study, we describe a multistage virtual screening approach that identifies dual adenosine A1 and A2A receptor antagonists using deep learning, pharmacophore models, a...

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Bibliografische Detailangaben

Hauptverfasser:	Mukuo Wang, Shujing Hou, Yu Wei, Dongmei Li, Jianping Lin
Format:	Artigo
Sprache:	Inglês
Veröffentlicht:	Public Library of Science (PLoS) 2021-03-01
Schriftenreihe:	PLoS Computational Biology
Online-Zugang:	https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1008821&type=printable
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