Identifying USP1 Inhibitors with Allosteric Effect on Its Triple Catalytic Center through Virtual Screening

<table class="table-group" id="tab1"><tr><td><table class="table"><tr><td class="thead-hr" colspan="3"><hr/></td></tr><tr class="thead"><td class="align_left">Docking algorithm</td><td class="align_center">RMSD (Å)</td><td class="align_center">Docking score (kcal/mol)</td></tr><tr><td class="thead-hr" colspan="3"><hr/></td></tr><tr><td class="align_left">HTVS</td><td class="align_center">0.4053</td><td class="align_center">−10.197</td></tr><tr><td class="align_left">SP</td><td class="align_center">0.2804</td><td class="align_center">−10.424</td></tr><tr><td class="align_left">XP</td><td class="align_center">0.2551</td><td class="align_center">−10.310</td></tr><tr class="table-tr"><td colspan="3"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

<div>Docking score and RMSD value of HTVS, SP, and XP.</div>

Journal of Chemistry

tab1

Table 1

Table 1: Identifying USP1 Inhibitors with Allosteric Effect on Its Triple Catalytic Center through Virtual Screening 