The ricin toxin is a dimeric rRNA N-glycosidase toxin derived from castor beans (<i>Ricinus communis</i>). Due to its toxicity and ease of access, the Centers for Disease Control and Prevention (CDC) has classified ricin toxin as a category B bioterrorism agent. This ribosome-inactivating protein acts through the removal of a specific adenine on the sarcin-ricin loop (SRL) of the 28S rRNA. To date, there is no approved anti-toxin treatment for ricin poisoning. Our lab has performed a virtual high-throughput screen based on previously reported co-crystal structures of the catalytic A subunit bound to a series of small molecule inhibitors. In an attempt to screen novel scaffolds, topomeric searching was performed followed by docking and scoring. Here we report the results of our virtual screen, along with our ongoing primary biophysical screen.

Discovery of ricin toxin inhibitors through in silico methods

ACS Spring Meeting 2021

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