Virtual screening identifies tipranavir as a SIRT1 inhibitor with anti-hepatocarcinoma effect - Supplementary files.docx
dataset
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<p> </p>
<p><strong>Supplementary Table 1. Key resources table of antibodies, chemicals and assay kits</strong></p>
<p> </p>
<p>Figure S1. Time evolution plot of root mean square deviation (RMSD) of compound <strong>6148</strong> (black) and SIRT1-<strong>6148</strong> complex (red).</p>
<p> Figure S2. Time evolution plot of root mean square deviation (RMSD) of compound <strong>974</strong> (black) and SIRT1-<strong>974</strong> complex (red) </p>
<p> Figure S3. Time evolution plot of root mean square deviation (RMSD) of compound <strong>952</strong> (black) and SIRT1-<strong>952</strong> complex (red) </p>
<p> Figure S4. Time evolution plot of root mean square deviation (RMSD) of compound <strong>938</strong> (black) and SIRT1-<strong>938</strong> complex (red)</p>
<p> Figure S5. Time evolution plot of root mean square deviation (RMSD) of compound <strong>932</strong> (black) (tipranavir) and SIRT1-<strong>932</strong> complex (red)</p>
<p> Figure S6. Time evolution plot of root mean square deviation (RMSD) of compound <strong>929</strong> (black) and SIRT1-<strong>929</strong> complex (red)</p>
<p> Figure S7. Time evolution plot of root mean square deviation (RMSD) of compound <strong>923</strong> (black) and SIRT1-<strong>923</strong>complex (red)</p>
<p> Figure S8. Time evolution plot of root mean square deviation (RMSD) of compound <strong>918</strong> (black) and SIRT1-<strong>918</strong> complex (red)</p>
<p> Figure S9. Time evolution plot of root mean square deviation (RMSD) of compound <strong>867</strong> (black) and SIRT1-<strong>867</strong> complex (red). </p>
<p> Figure S10. Time evolution plot of root mean square deviation (RMSD) of compound <strong>863</strong> (black) and SIRT1-<strong>863</strong> complex (red)</p>
<p> Figure S11. Time evolution plot of root mean square deviation (RMSD) of compound <strong>EX527 </strong>(black) and SIRT1-<strong>EX527</strong> complex (red).</p>
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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