Author: Wang, Xue-Jiao; Zhang, Jun; Wang, Shu-Qing; Xu, Wei-Ren; Cheng, Xian-Chao; Wang, Run-Ling
Title: Identification of novel multitargeted PPARa/?/d pan agonists by core hopping of rosiglitazone Document date: 2014_11_7
ID: uotug8ej_17
Snippet: The development of the PPARα/γ dual agonist muraglitazar has been discontinued during clinical trials because of danger and mortality rate of cardiovascular which was then neutralized by sodium ions or chloride ions. 30, 31 The 1,000-step energy minimization of the system was performed using the steepest descending method. The NVT (constant number, volume and temperature) ensembles were used with temperature being maintained at 300 K. The cutof.....
Document: The development of the PPARα/γ dual agonist muraglitazar has been discontinued during clinical trials because of danger and mortality rate of cardiovascular which was then neutralized by sodium ions or chloride ions. 30, 31 The 1,000-step energy minimization of the system was performed using the steepest descending method. The NVT (constant number, volume and temperature) ensembles were used with temperature being maintained at 300 K. The cutoff radius of van der Waals interaction was 1.4 nm, and particle mesh Ewald algorithm was used for the electrostatic
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