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Virtual screening identifies tipranavir as a SIRT1 inhibitor with anti-hepatocarcinoma effect - Supplementary files.docx

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posted on 2023-04-04, 09:27 authored by Yan Shen, Qingyu Zhang, Lu Zhang, Juan Wang, Mao Shu, Kuilong Huang, Yong Hu, Zhihua Lin

  

Supplementary Table 1. Key resources table of antibodies, chemicals and assay kits

  

Figure S1. Time evolution plot of root mean square deviation (RMSD) of compound 6148 (black) and SIRT1-6148 complex (red).

 Figure S2. Time evolution plot of root mean square deviation (RMSD) of compound 974 (black) and SIRT1-974 complex (red) 

 Figure S3. Time evolution plot of root mean square deviation (RMSD) of compound 952 (black) and SIRT1-952 complex (red) 

 Figure S4. Time evolution plot of root mean square deviation (RMSD) of compound 938 (black) and SIRT1-938 complex (red)

 Figure S5. Time evolution plot of root mean square deviation (RMSD) of compound 932 (black) (tipranavir) and SIRT1-932 complex (red)

 Figure S6. Time evolution plot of root mean square deviation (RMSD) of compound 929 (black) and SIRT1-929 complex (red)

 Figure S7. Time evolution plot of root mean square deviation (RMSD) of compound 923 (black) and SIRT1-923complex (red)

 Figure S8. Time evolution plot of root mean square deviation (RMSD) of compound 918 (black) and SIRT1-918 complex (red)

 Figure S9. Time evolution plot of root mean square deviation (RMSD) of compound 867 (black) and SIRT1-867 complex (red). 

 Figure S10. Time evolution plot of root mean square deviation (RMSD) of compound 863 (black) and SIRT1-863 complex (red)

  Figure S11. Time evolution plot of root mean square deviation (RMSD) of compound EX527 (black) and SIRT1-EX527 complex (red).

Funding

National Natural Science Foundation of China , (Grant / Award Number: 'No. 82100684') Scientific and Technological Research Program of Chongqing Municipal Education commission, (Grant / Award Number: 'KJZD-K201801102') Chongqing University of Technology Postgraduate Innovation Project , (Grant / Award Number: 'gzlcx20223346')

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