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Molecular Dockings and Molecular Dynamics Simulations Reveal the Potency of Different Inhibitors against Xanthine Oxidase

[Image: see text] Xanthine oxidase (XO), which can catalyze the formation of xanthine or hypoxanthine to uric acid, is the most important target of gout. To explore the conformational changes for inhibitor binding, molecular dockings and molecular dynamics simulations were performed. Docking results...

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Detalles Bibliográficos
Autores principales: Pan, Yue, Lu, Zhongkui, Li, Congcong, Qi, Renrui, Chang, Hao, Han, Lu, Han, Weiwei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8154014/
https://www.ncbi.nlm.nih.gov/pubmed/34056319
http://dx.doi.org/10.1021/acsomega.1c00968