Ingredients screening and putative targets prediction of S. officinalis

XS Xue Shen
WZ Weijia Zhang
CP Chang Peng
JY Jiahui Yan
PC Pengting Chen
CJ Cheng Jiang
YY Yuemei Yuan
DC Donglian Chen
WZ Weixing Zhu
MY Meicun Yao
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The chemical ingredients of S. officinalis were collected from the Traditional Chinese Medicine Systems Pharmacology Database (TCMSP, http://lsp.nwu.edu.cn/tcmsp.php) and kinds of literature [7, 8]. The bioactive compounds were selected according to following criterions: Oral bioavailability (OB) > 30 %, drug-likeness (DL) > 0.18 [26]. Then, the SDF structure files of selected bioactive compounds were acquired from the PubChem Compound Database (https://www.ncbi.nlm.nih.gov/pccompound). Finally, the Swiss Target Prediction Database (http://www.swisstargetprediction.ch/) was used to obtain putative targets [27].

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