A CDFT-Based Computational Peptidology (CDFT-CP) Study of the Chemical Reactivity and Bioactivity of the Marine-Derived Alternaramide Cyclopentadepsipeptide

<table class="table-group" id="tab11"><tr><td><table class="table"><tr><td class="thead-hr" colspan="2"><hr/></td></tr><tr class="thead"><td class="align_left">Property</td><td class="align_center">Value</td></tr><tr><td class="thead-hr" colspan="2"><hr/></td></tr><tr><td class="align_left">AMES toxicity</td><td class="align_center">—</td></tr><tr><td class="align_left">MRTD</td><td class="align_center">−0.442</td></tr><tr><td class="align_left">hERG I inhibition</td><td class="align_center">—</td></tr><tr><td class="align_left">hERG II inhibition</td><td class="align_center">+</td></tr><tr><td class="align_left">ORAT</td><td class="align_center">3.665</td></tr><tr><td class="align_left">ORCT</td><td class="align_center">2.890</td></tr><tr><td class="align_left">Hepatotoxicity</td><td class="align_center">+</td></tr><tr><td class="align_left">Skin sensitisation</td><td class="align_center">—</td></tr><tr><td class="align_left"><i>T</i>. <i>pyriformis</i> toxicity</td><td class="align_center">0.285</td></tr><tr class="table-tr"><td colspan="2"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

<div>Toxicity properties of the alternaramide marine cyclopentadepsipeptide.</div>

Journal of Chemistry

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Table 11

Table 11: A CDFT-Based Computational Peptidology (CDFT-CP) Study of the Chemical Reactivity and Bioactivity of the Marine-Derived Alternaramide Cyclopentadepsipeptide 

Table 11 | A CDFT-Based Computational Peptidology (CDFT-CP) Study of the Chemical Reactivity and Bioactivity of the Marine-Derived Alternaramide Cyclopentadepsipeptide 