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Combining virtual screening and in vitro evaluation for the discovery of potential CYP11B2 inhibitors - Supporting Information

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posted on 2022-08-01, 09:27 authored by Jiali Li, Na Yu, Hongmei Guo, YuanZe Shi, Xiaodie Chen, Jinping Wu, Xuemin Zhao, Mao Shu, Rui Wang, Zhihua Lin

  

Fig.S1 RMSD of complexes CYP11B2 docking with 9 compounds / Fadrozole for 100ns simulations

  

Fig.S2 Contributions of free energy calculated by MM/GBSA for key residues of CYP11B2

  

Table S1 Pharmaceutical Properties of Compounds (Lipinski's Five Principles and Number of Rotatable Ronds)

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