Potential JAK2 Inhibitors from Selected Natural Compounds: A Promising Approach for Complementary Therapy in Cancer Patients

<table class="table-group" id="tab3"><tr><td><table class="table"><tr><td class="thead-hr" colspan="2"><hr/></td></tr><tr class="thead"><td class="align_left">Compound name</td><td class="align_center">MM-GBSA-dG binding energy</td></tr><tr><td class="thead-hr" colspan="2"><hr/></td></tr><tr><td class="align_left">Orientin</td><td class="align_center">−21.28</td></tr><tr><td class="align_left">Chlorogenic acid</td><td class="align_center">−24.13</td></tr><tr><td class="align_left">Pulmatin</td><td class="align_center">−14.76</td></tr><tr class="table-tr"><td colspan="2"><hr class="tbody-hr"/></td></tr></table></td></tr><tr class="table-fn"><td><div>JAK2, janus-activated kinase 2.<br/></div></td></tr></table>

<div>Schrödinger maestro relative binding-free energies, obtained by prime MM-GBSA (in kcal/mol), of the top-ranked flavonoid, cinnamic acid, and anthraquinone compounds based on the AutoDock tool against the JAK2 active site (PDB ID: 2B7A).</div>

Evidence-Based Complementary and Alternative Medicine

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Table 3

Table 3: Potential JAK2 Inhibitors from Selected Natural Compounds: A Promising Approach for Complementary Therapy in Cancer Patients 